USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 984 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 TYR OH : rot 180:sc= 0.0272 USER MOD Set 1.2: A 112 CYS SG : rot 131:sc= 0.13 USER MOD Set 2.1: A 105 TYR OH : rot 100:sc= 0.693 USER MOD Set 2.2: A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 23 TYR OH : rot -91:sc= -0.279 USER MOD Set 3.2: A 77 CYS SG : rot 160:sc= -1.39 USER MOD Set 3.3: A 94 GLN : amide:sc= -4.13! C(o=-5.8!,f=-4.5!) USER MOD Set 4.1: A 12 SER OG : rot 100:sc= 1.27 USER MOD Set 4.2: A 61 SER OG : rot -68:sc= 0.896 USER MOD Single : A 1 GLY N :NH3+ 131:sc= 0.0159 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 0.0847 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 140:sc= -4.05! USER MOD Single : A 17 ASN : amide:sc= -0.302 K(o=-0.3,f=-2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0673 X(o=-0.067,f=-0.067) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 141:sc= -1.57 (180deg=-4.65!) USER MOD Single : A 44 ASN : amide:sc= -0.0222 X(o=-0.022,f=-0.42) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -3.13! C(o=-3.1!,f=-2.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.000484 K(o=-0.00048,f=-0.74) USER MOD Single : A 70 GLN : amide:sc= -0.0501 X(o=-0.05,f=-0.32) USER MOD Single : A 71 HIS : no HD1:sc= -8.15! C(o=-8.2!,f=-7!) USER MOD Single : A 72 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.9!) USER MOD Single : A 74 HIS : no HD1:sc= -0.0811 X(o=-0.081,f=-0.31) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.7!) USER MOD Single : A 82 MET CE :methyl -176:sc= 0 (180deg=-0.00916) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.901 K(o=-0.9,f=-4.6!) USER MOD Single : A 89 HIS : no HD1:sc= -3.21 K(o=-3.2,f=-3.7!) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 MET CE :methyl -172:sc= -1.84! (180deg=-2.08!) USER MOD Single : A 98 MET CE :methyl 135:sc= -0.434 (180deg=-3.43!) USER MOD Single : A 104 ASN : amide:sc= -0.0641 X(o=-0.064,f=-0.007) USER MOD Single : A 110 ASN : amide:sc= -8.43! C(o=-8.4!,f=-6.9!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.1) USER MOD Single : A 125 SER OG : rot -72:sc= 0.712 USER MOD Single : A 128 SER OG : rot 47:sc= 0.605 USER MOD Single : A 129 SER OG : rot 0:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.987 -6.114 -0.515 1.00 0.00 N ATOM 2 CA GLY A 1 17.744 -5.866 0.194 1.00 0.00 C ATOM 3 C GLY A 1 16.999 -4.672 -0.407 1.00 0.00 C ATOM 4 O GLY A 1 17.616 -3.679 -0.790 1.00 0.00 O ATOM 0 H1 GLY A 1 19.763 -6.214 0.170 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.901 -6.989 -1.071 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.188 -5.317 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.112 -6.753 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.953 -5.676 1.247 1.00 0.00 H new ATOM 8 N SER A 2 15.682 -4.807 -0.470 1.00 0.00 N ATOM 9 CA SER A 2 14.847 -3.752 -1.017 1.00 0.00 C ATOM 10 C SER A 2 13.467 -3.781 -0.357 1.00 0.00 C ATOM 11 O SER A 2 12.590 -4.534 -0.776 1.00 0.00 O ATOM 12 CB SER A 2 14.712 -3.888 -2.535 1.00 0.00 C ATOM 13 OG SER A 2 15.726 -3.167 -3.229 1.00 0.00 O ATOM 0 H SER A 2 15.173 -5.631 -0.151 1.00 0.00 H new ATOM 0 HA SER A 2 15.324 -2.795 -0.806 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.764 -4.941 -2.810 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.732 -3.525 -2.846 1.00 0.00 H new ATOM 0 HG SER A 2 16.538 -3.136 -2.682 1.00 0.00 H new ATOM 19 N SER A 3 13.318 -2.951 0.665 1.00 0.00 N ATOM 20 CA SER A 3 12.060 -2.872 1.388 1.00 0.00 C ATOM 21 C SER A 3 11.715 -4.236 1.988 1.00 0.00 C ATOM 22 O SER A 3 12.117 -5.271 1.459 1.00 0.00 O ATOM 23 CB SER A 3 10.930 -2.392 0.475 1.00 0.00 C ATOM 24 OG SER A 3 11.004 -0.992 0.223 1.00 0.00 O ATOM 0 H SER A 3 14.048 -2.327 1.010 1.00 0.00 H new ATOM 0 HA SER A 3 12.173 -2.146 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.973 -2.933 -0.470 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.969 -2.627 0.933 1.00 0.00 H new ATOM 0 HG SER A 3 10.266 -0.726 -0.365 1.00 0.00 H new ATOM 30 N GLY A 4 10.973 -4.194 3.085 1.00 0.00 N ATOM 31 CA GLY A 4 10.569 -5.414 3.763 1.00 0.00 C ATOM 32 C GLY A 4 9.346 -6.037 3.088 1.00 0.00 C ATOM 33 O GLY A 4 9.469 -7.019 2.357 1.00 0.00 O ATOM 0 H GLY A 4 10.641 -3.334 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.394 -6.127 3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.341 -5.196 4.806 1.00 0.00 H new ATOM 37 N SER A 5 8.194 -5.441 3.356 1.00 0.00 N ATOM 38 CA SER A 5 6.949 -5.926 2.783 1.00 0.00 C ATOM 39 C SER A 5 6.672 -7.351 3.265 1.00 0.00 C ATOM 40 O SER A 5 7.380 -8.285 2.892 1.00 0.00 O ATOM 41 CB SER A 5 6.992 -5.881 1.255 1.00 0.00 C ATOM 42 OG SER A 5 5.819 -6.441 0.671 1.00 0.00 O ATOM 0 H SER A 5 8.096 -4.627 3.962 1.00 0.00 H new ATOM 0 HA SER A 5 6.142 -5.273 3.116 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.103 -4.848 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.868 -6.424 0.901 1.00 0.00 H new ATOM 0 HG SER A 5 5.884 -6.392 -0.306 1.00 0.00 H new ATOM 48 N SER A 6 5.640 -7.474 4.087 1.00 0.00 N ATOM 49 CA SER A 6 5.260 -8.769 4.624 1.00 0.00 C ATOM 50 C SER A 6 3.971 -9.254 3.957 1.00 0.00 C ATOM 51 O SER A 6 3.957 -10.302 3.313 1.00 0.00 O ATOM 52 CB SER A 6 5.081 -8.706 6.142 1.00 0.00 C ATOM 53 OG SER A 6 5.057 -10.003 6.731 1.00 0.00 O ATOM 0 H SER A 6 5.055 -6.697 4.394 1.00 0.00 H new ATOM 0 HA SER A 6 6.061 -9.476 4.410 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.893 -8.124 6.579 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.153 -8.184 6.376 1.00 0.00 H new ATOM 0 HG SER A 6 4.943 -9.920 7.701 1.00 0.00 H new ATOM 59 N GLY A 7 2.919 -8.469 4.135 1.00 0.00 N ATOM 60 CA GLY A 7 1.628 -8.805 3.558 1.00 0.00 C ATOM 61 C GLY A 7 1.289 -7.874 2.393 1.00 0.00 C ATOM 62 O GLY A 7 2.071 -6.987 2.054 1.00 0.00 O ATOM 0 H GLY A 7 2.934 -7.601 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.639 -9.838 3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.854 -8.733 4.322 1.00 0.00 H new ATOM 66 N PRO A 8 0.091 -8.114 1.796 1.00 0.00 N ATOM 67 CA PRO A 8 -0.362 -7.308 0.675 1.00 0.00 C ATOM 68 C PRO A 8 -0.833 -5.930 1.146 1.00 0.00 C ATOM 69 O PRO A 8 -1.324 -5.787 2.264 1.00 0.00 O ATOM 70 CB PRO A 8 -1.467 -8.123 0.024 1.00 0.00 C ATOM 71 CG PRO A 8 -1.909 -9.135 1.069 1.00 0.00 C ATOM 72 CD PRO A 8 -0.861 -9.156 2.170 1.00 0.00 C ATOM 0 HA PRO A 8 0.433 -7.098 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.298 -7.485 -0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.106 -8.622 -0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.884 -8.864 1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.014 -10.124 0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.306 -8.954 3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.376 -10.130 2.237 1.00 0.00 H new ATOM 80 N VAL A 9 -0.668 -4.952 0.268 1.00 0.00 N ATOM 81 CA VAL A 9 -1.070 -3.591 0.579 1.00 0.00 C ATOM 82 C VAL A 9 -1.988 -3.069 -0.528 1.00 0.00 C ATOM 83 O VAL A 9 -1.520 -2.698 -1.604 1.00 0.00 O ATOM 84 CB VAL A 9 0.167 -2.715 0.793 1.00 0.00 C ATOM 85 CG1 VAL A 9 -0.221 -1.241 0.926 1.00 0.00 C ATOM 86 CG2 VAL A 9 0.966 -3.184 2.011 1.00 0.00 C ATOM 0 H VAL A 9 -0.261 -5.075 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.636 -3.564 1.510 1.00 0.00 H new ATOM 0 HB VAL A 9 0.805 -2.815 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.676 -0.641 1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.727 -0.915 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.889 -1.116 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.840 -2.545 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.339 -3.127 2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.289 -4.214 1.860 1.00 0.00 H new ATOM 96 N ASP A 10 -3.278 -3.055 -0.226 1.00 0.00 N ATOM 97 CA ASP A 10 -4.265 -2.585 -1.183 1.00 0.00 C ATOM 98 C ASP A 10 -3.718 -1.355 -1.910 1.00 0.00 C ATOM 99 O ASP A 10 -3.913 -1.205 -3.116 1.00 0.00 O ATOM 100 CB ASP A 10 -5.563 -2.180 -0.480 1.00 0.00 C ATOM 101 CG ASP A 10 -6.714 -3.177 -0.625 1.00 0.00 C ATOM 102 OD1 ASP A 10 -6.739 -4.136 0.176 1.00 0.00 O ATOM 103 OD2 ASP A 10 -7.544 -2.957 -1.534 1.00 0.00 O ATOM 0 H ASP A 10 -3.662 -3.362 0.668 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.470 -3.396 -1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.356 -2.039 0.581 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.886 -1.216 -0.872 1.00 0.00 H new ATOM 108 N CYS A 11 -3.044 -0.507 -1.148 1.00 0.00 N ATOM 109 CA CYS A 11 -2.468 0.705 -1.705 1.00 0.00 C ATOM 110 C CYS A 11 -1.136 0.971 -1.002 1.00 0.00 C ATOM 111 O CYS A 11 -1.093 1.120 0.219 1.00 0.00 O ATOM 112 CB CYS A 11 -3.424 1.893 -1.585 1.00 0.00 C ATOM 113 SG CYS A 11 -2.696 3.366 -2.392 1.00 0.00 S ATOM 0 H CYS A 11 -2.884 -0.635 -0.149 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.294 0.570 -2.772 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.380 1.649 -2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.624 2.105 -0.535 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.623 4.010 -3.037 1.00 0.00 H new ATOM 119 N SER A 12 -0.080 1.023 -1.801 1.00 0.00 N ATOM 120 CA SER A 12 1.250 1.268 -1.271 1.00 0.00 C ATOM 121 C SER A 12 1.677 2.706 -1.573 1.00 0.00 C ATOM 122 O SER A 12 1.716 3.114 -2.733 1.00 0.00 O ATOM 123 CB SER A 12 2.264 0.280 -1.849 1.00 0.00 C ATOM 124 OG SER A 12 2.205 -0.988 -1.200 1.00 0.00 O ATOM 0 H SER A 12 -0.119 0.899 -2.813 1.00 0.00 H new ATOM 0 HA SER A 12 1.220 1.124 -0.191 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.077 0.151 -2.915 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.268 0.692 -1.749 1.00 0.00 H new ATOM 0 HG SER A 12 1.695 -1.616 -1.754 1.00 0.00 H new ATOM 130 N VAL A 13 1.986 3.433 -0.511 1.00 0.00 N ATOM 131 CA VAL A 13 2.409 4.817 -0.648 1.00 0.00 C ATOM 132 C VAL A 13 3.923 4.863 -0.870 1.00 0.00 C ATOM 133 O VAL A 13 4.693 4.428 -0.016 1.00 0.00 O ATOM 134 CB VAL A 13 1.959 5.625 0.570 1.00 0.00 C ATOM 135 CG1 VAL A 13 2.636 6.997 0.598 1.00 0.00 C ATOM 136 CG2 VAL A 13 0.436 5.765 0.603 1.00 0.00 C ATOM 0 H VAL A 13 1.952 3.091 0.449 1.00 0.00 H new ATOM 0 HA VAL A 13 1.938 5.276 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 13 2.265 5.082 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.299 7.551 1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.717 6.868 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.375 7.550 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.143 6.344 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.098 6.275 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.019 4.776 0.653 1.00 0.00 H new ATOM 146 N ILE A 14 4.303 5.395 -2.023 1.00 0.00 N ATOM 147 CA ILE A 14 5.710 5.504 -2.368 1.00 0.00 C ATOM 148 C ILE A 14 6.185 6.936 -2.111 1.00 0.00 C ATOM 149 O ILE A 14 5.905 7.837 -2.900 1.00 0.00 O ATOM 150 CB ILE A 14 5.949 5.025 -3.801 1.00 0.00 C ATOM 151 CG1 ILE A 14 4.950 3.933 -4.187 1.00 0.00 C ATOM 152 CG2 ILE A 14 7.398 4.570 -3.993 1.00 0.00 C ATOM 153 CD1 ILE A 14 5.234 2.635 -3.427 1.00 0.00 C ATOM 0 H ILE A 14 3.661 5.755 -2.729 1.00 0.00 H new ATOM 0 HA ILE A 14 6.309 4.851 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 14 5.784 5.866 -4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.936 4.270 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.003 3.749 -5.260 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.541 4.234 -5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.071 5.402 -3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.615 3.749 -3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.509 1.876 -3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.240 2.287 -3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.156 2.816 -2.355 1.00 0.00 H new ATOM 165 N VAL A 15 6.894 7.101 -1.005 1.00 0.00 N ATOM 166 CA VAL A 15 7.410 8.408 -0.634 1.00 0.00 C ATOM 167 C VAL A 15 8.934 8.407 -0.768 1.00 0.00 C ATOM 168 O VAL A 15 9.638 7.924 0.118 1.00 0.00 O ATOM 169 CB VAL A 15 6.933 8.780 0.771 1.00 0.00 C ATOM 170 CG1 VAL A 15 6.854 7.542 1.668 1.00 0.00 C ATOM 171 CG2 VAL A 15 7.835 9.849 1.391 1.00 0.00 C ATOM 0 H VAL A 15 7.124 6.351 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 15 7.025 9.175 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 15 5.930 9.197 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.512 7.834 2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.153 6.826 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.840 7.084 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.474 10.095 2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.855 9.471 1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.820 10.744 0.769 1.00 0.00 H new ATOM 181 N VAL A 16 9.399 8.952 -1.882 1.00 0.00 N ATOM 182 CA VAL A 16 10.827 9.020 -2.143 1.00 0.00 C ATOM 183 C VAL A 16 11.427 10.197 -1.371 1.00 0.00 C ATOM 184 O VAL A 16 12.018 11.098 -1.966 1.00 0.00 O ATOM 185 CB VAL A 16 11.080 9.102 -3.649 1.00 0.00 C ATOM 186 CG1 VAL A 16 10.518 7.873 -4.367 1.00 0.00 C ATOM 187 CG2 VAL A 16 10.501 10.391 -4.234 1.00 0.00 C ATOM 0 H VAL A 16 8.812 9.351 -2.615 1.00 0.00 H new ATOM 0 HA VAL A 16 11.323 8.115 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 16 12.158 9.118 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.711 7.956 -5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.999 6.974 -3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.443 7.812 -4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.695 10.423 -5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.426 10.419 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.969 11.251 -3.754 1.00 0.00 H new ATOM 197 N ASN A 17 11.254 10.153 -0.058 1.00 0.00 N ATOM 198 CA ASN A 17 11.771 11.204 0.801 1.00 0.00 C ATOM 199 C ASN A 17 11.304 10.959 2.237 1.00 0.00 C ATOM 200 O ASN A 17 10.736 9.910 2.539 1.00 0.00 O ATOM 201 CB ASN A 17 11.254 12.576 0.363 1.00 0.00 C ATOM 202 CG ASN A 17 12.398 13.458 -0.142 1.00 0.00 C ATOM 203 OD1 ASN A 17 13.441 12.985 -0.564 1.00 0.00 O ATOM 204 ND2 ASN A 17 12.147 14.762 -0.074 1.00 0.00 N ATOM 0 H ASN A 17 10.763 9.405 0.432 1.00 0.00 H new ATOM 0 HA ASN A 17 12.859 11.190 0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.510 12.454 -0.424 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.755 13.065 1.200 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.849 15.433 -0.386 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.253 15.091 0.290 1.00 0.00 H new ATOM 211 N LYS A 18 11.560 11.945 3.085 1.00 0.00 N ATOM 212 CA LYS A 18 11.173 11.849 4.482 1.00 0.00 C ATOM 213 C LYS A 18 10.274 13.035 4.840 1.00 0.00 C ATOM 214 O LYS A 18 9.259 12.867 5.514 1.00 0.00 O ATOM 215 CB LYS A 18 12.410 11.724 5.374 1.00 0.00 C ATOM 216 CG LYS A 18 12.982 10.306 5.322 1.00 0.00 C ATOM 217 CD LYS A 18 12.246 9.383 6.295 1.00 0.00 C ATOM 218 CE LYS A 18 12.721 7.936 6.144 1.00 0.00 C ATOM 219 NZ LYS A 18 13.798 7.640 7.115 1.00 0.00 N ATOM 0 H LYS A 18 12.030 12.814 2.831 1.00 0.00 H new ATOM 0 HA LYS A 18 10.592 10.943 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.168 12.438 5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.149 11.977 6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.899 9.913 4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.043 10.329 5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.413 9.720 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.173 9.438 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.885 7.254 6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.082 7.770 5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.109 6.654 6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.602 8.278 6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.441 7.779 8.082 1.00 0.00 H new ATOM 233 N GLN A 19 10.680 14.206 4.373 1.00 0.00 N ATOM 234 CA GLN A 19 9.925 15.419 4.636 1.00 0.00 C ATOM 235 C GLN A 19 8.423 15.139 4.546 1.00 0.00 C ATOM 236 O GLN A 19 7.651 15.595 5.388 1.00 0.00 O ATOM 237 CB GLN A 19 10.332 16.538 3.675 1.00 0.00 C ATOM 238 CG GLN A 19 10.793 17.779 4.443 1.00 0.00 C ATOM 239 CD GLN A 19 9.655 18.354 5.289 1.00 0.00 C ATOM 240 OE1 GLN A 19 9.715 18.400 6.507 1.00 0.00 O ATOM 241 NE2 GLN A 19 8.619 18.788 4.578 1.00 0.00 N ATOM 0 H GLN A 19 11.522 14.341 3.814 1.00 0.00 H new ATOM 0 HA GLN A 19 10.153 15.753 5.648 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.134 16.190 3.024 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.490 16.795 3.033 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.635 17.521 5.086 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.147 18.534 3.742 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.634 18.719 3.560 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.809 19.190 5.050 1.00 0.00 H new ATOM 250 N THR A 20 8.054 14.391 3.517 1.00 0.00 N ATOM 251 CA THR A 20 6.659 14.044 3.305 1.00 0.00 C ATOM 252 C THR A 20 6.314 12.749 4.042 1.00 0.00 C ATOM 253 O THR A 20 5.771 11.818 3.448 1.00 0.00 O ATOM 254 CB THR A 20 6.413 13.970 1.797 1.00 0.00 C ATOM 255 OG1 THR A 20 7.596 13.365 1.282 1.00 0.00 O ATOM 256 CG2 THR A 20 6.385 15.351 1.140 1.00 0.00 C ATOM 0 H THR A 20 8.697 14.015 2.820 1.00 0.00 H new ATOM 0 HA THR A 20 5.995 14.803 3.719 1.00 0.00 H new ATOM 0 HB THR A 20 5.469 13.459 1.608 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.521 13.277 0.309 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.207 15.241 0.070 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.587 15.948 1.581 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.341 15.849 1.300 1.00 0.00 H new ATOM 264 N LYS A 21 6.642 12.729 5.325 1.00 0.00 N ATOM 265 CA LYS A 21 6.374 11.563 6.149 1.00 0.00 C ATOM 266 C LYS A 21 4.947 11.647 6.694 1.00 0.00 C ATOM 267 O LYS A 21 4.144 10.739 6.483 1.00 0.00 O ATOM 268 CB LYS A 21 7.440 11.419 7.237 1.00 0.00 C ATOM 269 CG LYS A 21 6.944 10.525 8.376 1.00 0.00 C ATOM 270 CD LYS A 21 8.073 9.641 8.911 1.00 0.00 C ATOM 271 CE LYS A 21 7.514 8.445 9.683 1.00 0.00 C ATOM 272 NZ LYS A 21 8.498 7.964 10.678 1.00 0.00 N ATOM 0 H LYS A 21 7.091 13.503 5.815 1.00 0.00 H new ATOM 0 HA LYS A 21 6.435 10.653 5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.348 10.996 6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.700 12.402 7.629 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.548 11.143 9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.124 9.900 8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.687 9.289 8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.722 10.227 9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.589 8.729 10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.266 7.641 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.102 7.152 11.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.370 7.674 10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.714 8.728 11.350 1.00 0.00 H new ATOM 286 N ASP A 22 4.674 12.744 7.384 1.00 0.00 N ATOM 287 CA ASP A 22 3.357 12.958 7.960 1.00 0.00 C ATOM 288 C ASP A 22 2.321 13.043 6.838 1.00 0.00 C ATOM 289 O ASP A 22 1.267 12.414 6.913 1.00 0.00 O ATOM 290 CB ASP A 22 3.308 14.268 8.749 1.00 0.00 C ATOM 291 CG ASP A 22 3.442 14.115 10.265 1.00 0.00 C ATOM 292 OD1 ASP A 22 2.673 13.303 10.824 1.00 0.00 O ATOM 293 OD2 ASP A 22 4.310 14.814 10.831 1.00 0.00 O ATOM 0 H ASP A 22 5.342 13.495 7.557 1.00 0.00 H new ATOM 0 HA ASP A 22 3.142 12.125 8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.106 14.919 8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.366 14.771 8.532 1.00 0.00 H new ATOM 298 N TYR A 23 2.658 13.825 5.823 1.00 0.00 N ATOM 299 CA TYR A 23 1.770 13.999 4.686 1.00 0.00 C ATOM 300 C TYR A 23 1.446 12.655 4.031 1.00 0.00 C ATOM 301 O TYR A 23 0.286 12.251 3.976 1.00 0.00 O ATOM 302 CB TYR A 23 2.533 14.870 3.685 1.00 0.00 C ATOM 303 CG TYR A 23 1.863 14.972 2.313 1.00 0.00 C ATOM 304 CD1 TYR A 23 2.089 14.000 1.360 1.00 0.00 C ATOM 305 CD2 TYR A 23 1.033 16.038 2.028 1.00 0.00 C ATOM 306 CE1 TYR A 23 1.459 14.096 0.069 1.00 0.00 C ATOM 307 CE2 TYR A 23 0.403 16.134 0.737 1.00 0.00 C ATOM 308 CZ TYR A 23 0.647 15.159 -0.179 1.00 0.00 C ATOM 309 OH TYR A 23 0.052 15.250 -1.398 1.00 0.00 O ATOM 0 H TYR A 23 3.533 14.345 5.764 1.00 0.00 H new ATOM 0 HA TYR A 23 0.828 14.449 5.000 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.643 15.872 4.100 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.537 14.466 3.559 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.739 13.167 1.583 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.856 16.799 2.773 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.627 13.341 -0.685 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.249 16.962 0.501 1.00 0.00 H new ATOM 0 HH TYR A 23 0.625 15.764 -2.004 1.00 0.00 H new ATOM 319 N ALA A 24 2.493 11.999 3.551 1.00 0.00 N ATOM 320 CA ALA A 24 2.334 10.709 2.903 1.00 0.00 C ATOM 321 C ALA A 24 1.549 9.773 3.824 1.00 0.00 C ATOM 322 O ALA A 24 0.715 8.996 3.360 1.00 0.00 O ATOM 323 CB ALA A 24 3.710 10.148 2.538 1.00 0.00 C ATOM 0 H ALA A 24 3.454 12.337 3.598 1.00 0.00 H new ATOM 0 HA ALA A 24 1.767 10.812 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.591 9.180 2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.215 10.835 1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.306 10.029 3.443 1.00 0.00 H new ATOM 329 N GLU A 25 1.843 9.878 5.111 1.00 0.00 N ATOM 330 CA GLU A 25 1.174 9.051 6.101 1.00 0.00 C ATOM 331 C GLU A 25 -0.321 9.372 6.139 1.00 0.00 C ATOM 332 O GLU A 25 -1.099 8.652 6.763 1.00 0.00 O ATOM 333 CB GLU A 25 1.808 9.228 7.482 1.00 0.00 C ATOM 334 CG GLU A 25 2.825 8.121 7.765 1.00 0.00 C ATOM 335 CD GLU A 25 2.839 7.756 9.251 1.00 0.00 C ATOM 336 OE1 GLU A 25 3.605 8.412 9.990 1.00 0.00 O ATOM 337 OE2 GLU A 25 2.084 6.829 9.615 1.00 0.00 O ATOM 0 H GLU A 25 2.535 10.523 5.492 1.00 0.00 H new ATOM 0 HA GLU A 25 1.294 8.006 5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.298 10.200 7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.031 9.217 8.247 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.582 7.239 7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.818 8.448 7.458 1.00 0.00 H new ATOM 344 N SER A 26 -0.679 10.454 5.463 1.00 0.00 N ATOM 345 CA SER A 26 -2.067 10.879 5.412 1.00 0.00 C ATOM 346 C SER A 26 -2.774 10.216 4.228 1.00 0.00 C ATOM 347 O SER A 26 -3.615 9.337 4.416 1.00 0.00 O ATOM 348 CB SER A 26 -2.173 12.402 5.307 1.00 0.00 C ATOM 349 OG SER A 26 -3.479 12.870 5.634 1.00 0.00 O ATOM 0 H SER A 26 -0.031 11.049 4.946 1.00 0.00 H new ATOM 0 HA SER A 26 -2.553 10.570 6.337 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.445 12.863 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.919 12.714 4.294 1.00 0.00 H new ATOM 0 HG SER A 26 -3.505 13.847 5.557 1.00 0.00 H new ATOM 355 N VAL A 27 -2.408 10.661 3.035 1.00 0.00 N ATOM 356 CA VAL A 27 -2.996 10.121 1.822 1.00 0.00 C ATOM 357 C VAL A 27 -3.117 8.601 1.951 1.00 0.00 C ATOM 358 O VAL A 27 -4.023 7.996 1.380 1.00 0.00 O ATOM 359 CB VAL A 27 -2.177 10.555 0.605 1.00 0.00 C ATOM 360 CG1 VAL A 27 -1.188 9.463 0.192 1.00 0.00 C ATOM 361 CG2 VAL A 27 -3.089 10.938 -0.562 1.00 0.00 C ATOM 0 H VAL A 27 -1.711 11.390 2.883 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.002 10.515 1.677 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.603 11.438 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.619 9.797 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.506 9.259 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.734 8.554 -0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.481 11.243 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.702 10.081 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.735 11.764 -0.263 1.00 0.00 H new ATOM 371 N GLY A 28 -2.189 8.028 2.704 1.00 0.00 N ATOM 372 CA GLY A 28 -2.180 6.591 2.915 1.00 0.00 C ATOM 373 C GLY A 28 -3.279 6.173 3.894 1.00 0.00 C ATOM 374 O GLY A 28 -4.000 5.208 3.649 1.00 0.00 O ATOM 0 H GLY A 28 -1.439 8.533 3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.322 6.079 1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.208 6.283 3.301 1.00 0.00 H new ATOM 378 N ARG A 29 -3.371 6.922 4.984 1.00 0.00 N ATOM 379 CA ARG A 29 -4.370 6.642 6.002 1.00 0.00 C ATOM 380 C ARG A 29 -5.768 6.981 5.481 1.00 0.00 C ATOM 381 O ARG A 29 -6.753 6.373 5.897 1.00 0.00 O ATOM 382 CB ARG A 29 -4.098 7.444 7.275 1.00 0.00 C ATOM 383 CG ARG A 29 -4.934 8.726 7.305 1.00 0.00 C ATOM 384 CD ARG A 29 -4.724 9.487 8.615 1.00 0.00 C ATOM 385 NE ARG A 29 -3.616 10.457 8.465 1.00 0.00 N ATOM 386 CZ ARG A 29 -2.328 10.168 8.697 1.00 0.00 C ATOM 387 NH1 ARG A 29 -1.978 8.936 9.092 1.00 0.00 N ATOM 388 NH2 ARG A 29 -1.390 11.111 8.535 1.00 0.00 N ATOM 0 H ARG A 29 -2.770 7.722 5.184 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.315 5.579 6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.328 6.835 8.149 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.039 7.695 7.332 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.661 9.362 6.463 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.989 8.479 7.189 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.640 10.009 8.893 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.499 8.787 9.420 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.847 11.405 8.166 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.692 8.218 9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.998 8.716 9.268 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.656 12.049 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.410 10.891 8.712 1.00 0.00 H new ATOM 402 N LYS A 30 -5.810 7.952 4.580 1.00 0.00 N ATOM 403 CA LYS A 30 -7.071 8.380 3.999 1.00 0.00 C ATOM 404 C LYS A 30 -7.725 7.196 3.283 1.00 0.00 C ATOM 405 O LYS A 30 -8.942 7.027 3.340 1.00 0.00 O ATOM 406 CB LYS A 30 -6.860 9.601 3.102 1.00 0.00 C ATOM 407 CG LYS A 30 -6.444 10.821 3.926 1.00 0.00 C ATOM 408 CD LYS A 30 -7.665 11.644 4.342 1.00 0.00 C ATOM 409 CE LYS A 30 -7.429 13.137 4.101 1.00 0.00 C ATOM 410 NZ LYS A 30 -8.638 13.767 3.527 1.00 0.00 N ATOM 0 H LYS A 30 -4.991 8.454 4.238 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.761 8.702 4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.094 9.382 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.779 9.821 2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.900 10.497 4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.763 11.442 3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.539 11.315 3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.882 11.472 5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.168 13.626 5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.585 13.273 3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.460 14.780 3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.870 13.312 2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.435 13.653 4.186 1.00 0.00 H new ATOM 424 N VAL A 31 -6.888 6.407 2.625 1.00 0.00 N ATOM 425 CA VAL A 31 -7.369 5.245 1.899 1.00 0.00 C ATOM 426 C VAL A 31 -7.835 4.182 2.896 1.00 0.00 C ATOM 427 O VAL A 31 -8.701 3.368 2.582 1.00 0.00 O ATOM 428 CB VAL A 31 -6.285 4.737 0.946 1.00 0.00 C ATOM 429 CG1 VAL A 31 -6.738 3.463 0.229 1.00 0.00 C ATOM 430 CG2 VAL A 31 -5.887 5.820 -0.058 1.00 0.00 C ATOM 0 H VAL A 31 -5.879 6.550 2.580 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.227 5.510 1.282 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.405 4.491 1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.949 3.123 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.948 2.687 0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.640 3.671 -0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.115 5.433 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.759 6.111 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.503 6.689 0.477 1.00 0.00 H new ATOM 440 N ARG A 32 -7.238 4.225 4.079 1.00 0.00 N ATOM 441 CA ARG A 32 -7.580 3.275 5.124 1.00 0.00 C ATOM 442 C ARG A 32 -8.953 3.606 5.712 1.00 0.00 C ATOM 443 O ARG A 32 -9.692 2.709 6.114 1.00 0.00 O ATOM 444 CB ARG A 32 -6.537 3.289 6.243 1.00 0.00 C ATOM 445 CG ARG A 32 -5.178 2.805 5.733 1.00 0.00 C ATOM 446 CD ARG A 32 -4.254 2.438 6.896 1.00 0.00 C ATOM 447 NE ARG A 32 -4.250 0.972 7.095 1.00 0.00 N ATOM 448 CZ ARG A 32 -3.899 0.371 8.240 1.00 0.00 C ATOM 449 NH1 ARG A 32 -3.522 1.106 9.295 1.00 0.00 N ATOM 450 NH2 ARG A 32 -3.925 -0.966 8.330 1.00 0.00 N ATOM 0 H ARG A 32 -6.520 4.902 4.336 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.602 2.282 4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.441 4.299 6.643 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.869 2.652 7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.316 1.938 5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.714 3.584 5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.242 2.788 6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.586 2.936 7.807 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.532 0.382 6.312 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.502 2.124 9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.255 0.648 10.166 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.212 -1.526 7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.658 -1.424 9.201 1.00 0.00 H new ATOM 464 N ASP A 33 -9.253 4.896 5.743 1.00 0.00 N ATOM 465 CA ASP A 33 -10.525 5.356 6.275 1.00 0.00 C ATOM 466 C ASP A 33 -11.666 4.743 5.460 1.00 0.00 C ATOM 467 O ASP A 33 -12.811 4.721 5.908 1.00 0.00 O ATOM 468 CB ASP A 33 -10.643 6.878 6.182 1.00 0.00 C ATOM 469 CG ASP A 33 -11.935 7.463 6.756 1.00 0.00 C ATOM 470 OD1 ASP A 33 -12.175 7.235 7.961 1.00 0.00 O ATOM 471 OD2 ASP A 33 -12.653 8.126 5.976 1.00 0.00 O ATOM 0 H ASP A 33 -8.637 5.637 5.408 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.582 5.053 7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.797 7.325 6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.563 7.170 5.135 1.00 0.00 H new ATOM 476 N LEU A 34 -11.313 4.261 4.277 1.00 0.00 N ATOM 477 CA LEU A 34 -12.292 3.649 3.396 1.00 0.00 C ATOM 478 C LEU A 34 -12.345 2.144 3.665 1.00 0.00 C ATOM 479 O LEU A 34 -13.251 1.457 3.196 1.00 0.00 O ATOM 480 CB LEU A 34 -11.995 4.003 1.937 1.00 0.00 C ATOM 481 CG LEU A 34 -11.379 5.381 1.693 1.00 0.00 C ATOM 482 CD1 LEU A 34 -10.522 5.383 0.426 1.00 0.00 C ATOM 483 CD2 LEU A 34 -12.457 6.466 1.657 1.00 0.00 C ATOM 0 H LEU A 34 -10.362 4.282 3.909 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.287 4.044 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.321 3.249 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.925 3.937 1.372 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.718 5.611 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.096 6.375 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.718 4.655 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.141 5.121 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.991 7.436 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.162 6.252 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.987 6.484 2.609 1.00 0.00 H new ATOM 495 N GLY A 35 -11.363 1.675 4.421 1.00 0.00 N ATOM 496 CA GLY A 35 -11.286 0.264 4.758 1.00 0.00 C ATOM 497 C GLY A 35 -10.332 -0.474 3.817 1.00 0.00 C ATOM 498 O GLY A 35 -10.530 -1.653 3.527 1.00 0.00 O ATOM 0 H GLY A 35 -10.614 2.248 4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.947 0.151 5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.279 -0.182 4.698 1.00 0.00 H new ATOM 502 N MET A 36 -9.319 0.251 3.366 1.00 0.00 N ATOM 503 CA MET A 36 -8.334 -0.321 2.464 1.00 0.00 C ATOM 504 C MET A 36 -6.951 -0.363 3.117 1.00 0.00 C ATOM 505 O MET A 36 -6.517 0.614 3.724 1.00 0.00 O ATOM 506 CB MET A 36 -8.268 0.516 1.184 1.00 0.00 C ATOM 507 CG MET A 36 -9.528 0.322 0.337 1.00 0.00 C ATOM 508 SD MET A 36 -9.415 1.293 -1.156 1.00 0.00 S ATOM 509 CE MET A 36 -8.012 0.508 -1.931 1.00 0.00 C ATOM 0 H MET A 36 -9.159 1.229 3.608 1.00 0.00 H new ATOM 0 HA MET A 36 -8.635 -1.342 2.228 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.156 1.570 1.439 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.389 0.233 0.605 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.649 -0.732 0.087 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.409 0.618 0.907 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.182 0.437 -3.005 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.115 1.099 -1.744 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.881 -0.492 -1.518 1.00 0.00 H new ATOM 519 N VAL A 37 -6.298 -1.507 2.970 1.00 0.00 N ATOM 520 CA VAL A 37 -4.973 -1.690 3.539 1.00 0.00 C ATOM 521 C VAL A 37 -3.985 -0.762 2.829 1.00 0.00 C ATOM 522 O VAL A 37 -3.790 -0.866 1.619 1.00 0.00 O ATOM 523 CB VAL A 37 -4.570 -3.164 3.461 1.00 0.00 C ATOM 524 CG1 VAL A 37 -3.205 -3.393 4.114 1.00 0.00 C ATOM 525 CG2 VAL A 37 -5.637 -4.058 4.094 1.00 0.00 C ATOM 0 H VAL A 37 -6.661 -2.316 2.466 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.970 -1.421 4.595 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.488 -3.434 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.941 -4.448 4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.451 -2.797 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.249 -3.097 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.326 -5.100 4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.765 -3.786 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.582 -3.926 3.567 1.00 0.00 H new ATOM 535 N VAL A 38 -3.389 0.125 3.612 1.00 0.00 N ATOM 536 CA VAL A 38 -2.426 1.071 3.073 1.00 0.00 C ATOM 537 C VAL A 38 -1.156 1.041 3.926 1.00 0.00 C ATOM 538 O VAL A 38 -1.213 0.751 5.119 1.00 0.00 O ATOM 539 CB VAL A 38 -3.054 2.464 2.985 1.00 0.00 C ATOM 540 CG1 VAL A 38 -2.082 3.465 2.358 1.00 0.00 C ATOM 541 CG2 VAL A 38 -4.373 2.422 2.211 1.00 0.00 C ATOM 0 H VAL A 38 -3.554 0.209 4.615 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.143 0.792 2.058 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.271 2.799 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.553 4.447 2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.180 3.526 2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.819 3.136 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.799 3.424 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.190 2.056 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.071 1.755 2.717 1.00 0.00 H new ATOM 551 N ASP A 39 -0.041 1.345 3.279 1.00 0.00 N ATOM 552 CA ASP A 39 1.241 1.357 3.963 1.00 0.00 C ATOM 553 C ASP A 39 2.105 2.486 3.399 1.00 0.00 C ATOM 554 O ASP A 39 1.772 3.074 2.372 1.00 0.00 O ATOM 555 CB ASP A 39 1.990 0.039 3.752 1.00 0.00 C ATOM 556 CG ASP A 39 3.430 0.023 4.269 1.00 0.00 C ATOM 557 OD1 ASP A 39 3.591 -0.174 5.493 1.00 0.00 O ATOM 558 OD2 ASP A 39 4.336 0.209 3.429 1.00 0.00 O ATOM 0 H ASP A 39 0.002 1.585 2.289 1.00 0.00 H new ATOM 0 HA ASP A 39 1.054 1.500 5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.435 -0.760 4.244 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.000 -0.189 2.686 1.00 0.00 H new ATOM 563 N LEU A 40 3.199 2.756 4.097 1.00 0.00 N ATOM 564 CA LEU A 40 4.114 3.805 3.678 1.00 0.00 C ATOM 565 C LEU A 40 5.469 3.186 3.333 1.00 0.00 C ATOM 566 O LEU A 40 6.001 2.381 4.097 1.00 0.00 O ATOM 567 CB LEU A 40 4.192 4.903 4.741 1.00 0.00 C ATOM 568 CG LEU A 40 3.572 6.249 4.361 1.00 0.00 C ATOM 569 CD1 LEU A 40 2.045 6.160 4.327 1.00 0.00 C ATOM 570 CD2 LEU A 40 4.061 7.360 5.292 1.00 0.00 C ATOM 0 H LEU A 40 3.472 2.267 4.949 1.00 0.00 H new ATOM 0 HA LEU A 40 3.747 4.293 2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.702 4.542 5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.240 5.066 4.991 1.00 0.00 H new ATOM 0 HG LEU A 40 3.902 6.504 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.630 7.130 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.740 5.415 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.675 5.871 5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.605 8.306 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.781 7.124 6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.146 7.443 5.222 1.00 0.00 H new ATOM 582 N ILE A 41 5.991 3.585 2.182 1.00 0.00 N ATOM 583 CA ILE A 41 7.274 3.079 1.727 1.00 0.00 C ATOM 584 C ILE A 41 8.285 4.228 1.687 1.00 0.00 C ATOM 585 O ILE A 41 8.225 5.082 0.805 1.00 0.00 O ATOM 586 CB ILE A 41 7.120 2.350 0.391 1.00 0.00 C ATOM 587 CG1 ILE A 41 6.533 0.952 0.594 1.00 0.00 C ATOM 588 CG2 ILE A 41 8.447 2.310 -0.369 1.00 0.00 C ATOM 589 CD1 ILE A 41 6.323 0.245 -0.747 1.00 0.00 C ATOM 0 H ILE A 41 5.548 4.253 1.551 1.00 0.00 H new ATOM 0 HA ILE A 41 7.660 2.337 2.426 1.00 0.00 H new ATOM 0 HB ILE A 41 6.415 2.909 -0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.201 0.361 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.583 1.026 1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.309 1.786 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.786 3.328 -0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.193 1.788 0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.905 -0.747 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.635 0.827 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.279 0.151 -1.262 1.00 0.00 H new ATOM 601 N PHE A 42 9.190 4.210 2.654 1.00 0.00 N ATOM 602 CA PHE A 42 10.213 5.239 2.741 1.00 0.00 C ATOM 603 C PHE A 42 11.488 4.808 2.015 1.00 0.00 C ATOM 604 O PHE A 42 12.087 3.789 2.356 1.00 0.00 O ATOM 605 CB PHE A 42 10.527 5.433 4.226 1.00 0.00 C ATOM 606 CG PHE A 42 9.492 6.274 4.976 1.00 0.00 C ATOM 607 CD1 PHE A 42 9.527 7.631 4.890 1.00 0.00 C ATOM 608 CD2 PHE A 42 8.537 5.665 5.729 1.00 0.00 C ATOM 609 CE1 PHE A 42 8.567 8.412 5.587 1.00 0.00 C ATOM 610 CE2 PHE A 42 7.577 6.446 6.425 1.00 0.00 C ATOM 611 CZ PHE A 42 7.612 7.803 6.339 1.00 0.00 C ATOM 0 H PHE A 42 9.237 3.499 3.384 1.00 0.00 H new ATOM 0 HA PHE A 42 9.856 6.158 2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.600 4.455 4.702 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.504 5.907 4.321 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.285 8.115 4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.509 4.588 5.798 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.596 9.490 5.520 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.819 5.962 7.023 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.881 8.397 6.868 1.00 0.00 H new ATOM 621 N LEU A 43 11.866 5.605 1.026 1.00 0.00 N ATOM 622 CA LEU A 43 13.059 5.318 0.248 1.00 0.00 C ATOM 623 C LEU A 43 14.188 6.252 0.691 1.00 0.00 C ATOM 624 O LEU A 43 14.513 7.212 -0.006 1.00 0.00 O ATOM 625 CB LEU A 43 12.753 5.390 -1.249 1.00 0.00 C ATOM 626 CG LEU A 43 11.565 4.556 -1.731 1.00 0.00 C ATOM 627 CD1 LEU A 43 11.237 4.863 -3.194 1.00 0.00 C ATOM 628 CD2 LEU A 43 11.813 3.064 -1.501 1.00 0.00 C ATOM 0 H LEU A 43 11.367 6.449 0.746 1.00 0.00 H new ATOM 0 HA LEU A 43 13.397 4.298 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.571 6.432 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.640 5.073 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 43 10.692 4.832 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.389 4.257 -3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.987 5.919 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.101 4.632 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.953 2.494 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.703 2.754 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.960 2.879 -0.437 1.00 0.00 H new ATOM 640 N ASN A 44 14.754 5.937 1.847 1.00 0.00 N ATOM 641 CA ASN A 44 15.839 6.736 2.391 1.00 0.00 C ATOM 642 C ASN A 44 17.086 6.552 1.524 1.00 0.00 C ATOM 643 O ASN A 44 18.068 5.954 1.961 1.00 0.00 O ATOM 644 CB ASN A 44 16.185 6.298 3.815 1.00 0.00 C ATOM 645 CG ASN A 44 17.159 7.280 4.470 1.00 0.00 C ATOM 646 OD1 ASN A 44 17.034 8.488 4.353 1.00 0.00 O ATOM 647 ND2 ASN A 44 18.132 6.696 5.162 1.00 0.00 N ATOM 0 H ASN A 44 14.482 5.140 2.422 1.00 0.00 H new ATOM 0 HA ASN A 44 15.518 7.778 2.402 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.274 6.232 4.410 1.00 0.00 H new ATOM 0 HB3 ASN A 44 16.626 5.301 3.796 1.00 0.00 H new ATOM 0 HD21 ASN A 44 18.833 7.265 5.636 1.00 0.00 H new ATOM 0 HD22 ASN A 44 18.178 5.679 5.219 1.00 0.00 H new ATOM 654 N THR A 45 17.006 7.077 0.310 1.00 0.00 N ATOM 655 CA THR A 45 18.116 6.978 -0.623 1.00 0.00 C ATOM 656 C THR A 45 18.585 5.527 -0.742 1.00 0.00 C ATOM 657 O THR A 45 19.785 5.263 -0.816 1.00 0.00 O ATOM 658 CB THR A 45 19.214 7.936 -0.154 1.00 0.00 C ATOM 659 OG1 THR A 45 18.728 9.225 -0.517 1.00 0.00 O ATOM 660 CG2 THR A 45 20.506 7.784 -0.959 1.00 0.00 C ATOM 0 H THR A 45 16.190 7.572 -0.049 1.00 0.00 H new ATOM 0 HA THR A 45 17.815 7.272 -1.629 1.00 0.00 H new ATOM 0 HB THR A 45 19.422 7.762 0.902 1.00 0.00 H new ATOM 0 HG1 THR A 45 19.378 9.907 -0.248 1.00 0.00 H new ATOM 0 HG21 THR A 45 21.252 8.486 -0.586 1.00 0.00 H new ATOM 0 HG22 THR A 45 20.882 6.766 -0.855 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.306 7.991 -2.010 1.00 0.00 H new ATOM 668 N GLU A 46 17.616 4.624 -0.756 1.00 0.00 N ATOM 669 CA GLU A 46 17.915 3.207 -0.864 1.00 0.00 C ATOM 670 C GLU A 46 18.110 2.816 -2.331 1.00 0.00 C ATOM 671 O GLU A 46 19.192 2.382 -2.723 1.00 0.00 O ATOM 672 CB GLU A 46 16.816 2.364 -0.214 1.00 0.00 C ATOM 673 CG GLU A 46 17.416 1.285 0.691 1.00 0.00 C ATOM 674 CD GLU A 46 17.150 -0.113 0.129 1.00 0.00 C ATOM 675 OE1 GLU A 46 16.003 -0.582 0.294 1.00 0.00 O ATOM 676 OE2 GLU A 46 18.099 -0.680 -0.454 1.00 0.00 O ATOM 0 H GLU A 46 16.623 4.847 -0.694 1.00 0.00 H new ATOM 0 HA GLU A 46 18.844 3.010 -0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.156 3.007 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.205 1.897 -0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.490 1.443 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.990 1.366 1.691 1.00 0.00 H new ATOM 683 N VAL A 47 17.045 2.984 -3.101 1.00 0.00 N ATOM 684 CA VAL A 47 17.085 2.654 -4.516 1.00 0.00 C ATOM 685 C VAL A 47 16.281 3.693 -5.300 1.00 0.00 C ATOM 686 O VAL A 47 16.294 4.876 -4.965 1.00 0.00 O ATOM 687 CB VAL A 47 16.589 1.224 -4.734 1.00 0.00 C ATOM 688 CG1 VAL A 47 17.180 0.627 -6.013 1.00 0.00 C ATOM 689 CG2 VAL A 47 16.902 0.344 -3.522 1.00 0.00 C ATOM 0 H VAL A 47 16.149 3.344 -2.772 1.00 0.00 H new ATOM 0 HA VAL A 47 18.109 2.688 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 47 15.506 1.260 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 47 16.811 -0.390 -6.144 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.883 1.234 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 47 18.267 0.612 -5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.539 -0.668 -3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 47 17.979 0.319 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 47 16.411 0.753 -2.639 1.00 0.00 H new ATOM 699 N SER A 48 15.601 3.212 -6.331 1.00 0.00 N ATOM 700 CA SER A 48 14.792 4.084 -7.166 1.00 0.00 C ATOM 701 C SER A 48 13.307 3.791 -6.944 1.00 0.00 C ATOM 702 O SER A 48 12.941 2.684 -6.552 1.00 0.00 O ATOM 703 CB SER A 48 15.151 3.919 -8.644 1.00 0.00 C ATOM 704 OG SER A 48 16.534 4.157 -8.887 1.00 0.00 O ATOM 0 H SER A 48 15.594 2.230 -6.607 1.00 0.00 H new ATOM 0 HA SER A 48 14.998 5.116 -6.883 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.894 2.911 -8.969 1.00 0.00 H new ATOM 0 HB3 SER A 48 14.554 4.608 -9.241 1.00 0.00 H new ATOM 0 HG SER A 48 16.723 4.040 -9.841 1.00 0.00 H new ATOM 710 N LEU A 49 12.492 4.803 -7.205 1.00 0.00 N ATOM 711 CA LEU A 49 11.054 4.667 -7.039 1.00 0.00 C ATOM 712 C LEU A 49 10.593 3.356 -7.677 1.00 0.00 C ATOM 713 O LEU A 49 9.959 2.531 -7.020 1.00 0.00 O ATOM 714 CB LEU A 49 10.334 5.903 -7.582 1.00 0.00 C ATOM 715 CG LEU A 49 8.855 6.034 -7.211 1.00 0.00 C ATOM 716 CD1 LEU A 49 8.149 7.040 -8.121 1.00 0.00 C ATOM 717 CD2 LEU A 49 8.164 4.669 -7.220 1.00 0.00 C ATOM 0 H LEU A 49 12.799 5.720 -7.530 1.00 0.00 H new ATOM 0 HA LEU A 49 10.795 4.614 -5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.858 6.790 -7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.417 5.899 -8.669 1.00 0.00 H new ATOM 0 HG LEU A 49 8.791 6.420 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.099 7.114 -7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.622 8.017 -8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.221 6.707 -9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.114 4.791 -6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.237 4.231 -8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.648 4.011 -6.498 1.00 0.00 H new ATOM 729 N SER A 50 10.928 3.204 -8.950 1.00 0.00 N ATOM 730 CA SER A 50 10.556 2.006 -9.684 1.00 0.00 C ATOM 731 C SER A 50 10.823 0.765 -8.830 1.00 0.00 C ATOM 732 O SER A 50 9.966 -0.110 -8.716 1.00 0.00 O ATOM 733 CB SER A 50 11.317 1.913 -11.008 1.00 0.00 C ATOM 734 OG SER A 50 12.725 2.036 -10.824 1.00 0.00 O ATOM 0 H SER A 50 11.453 3.890 -9.492 1.00 0.00 H new ATOM 0 HA SER A 50 9.491 2.061 -9.911 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.096 0.959 -11.487 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.970 2.696 -11.682 1.00 0.00 H new ATOM 0 HG SER A 50 13.175 1.970 -11.692 1.00 0.00 H new ATOM 740 N GLN A 51 12.014 0.728 -8.252 1.00 0.00 N ATOM 741 CA GLN A 51 12.404 -0.391 -7.412 1.00 0.00 C ATOM 742 C GLN A 51 11.292 -0.719 -6.413 1.00 0.00 C ATOM 743 O GLN A 51 11.117 -1.874 -6.031 1.00 0.00 O ATOM 744 CB GLN A 51 13.722 -0.102 -6.690 1.00 0.00 C ATOM 745 CG GLN A 51 14.483 -1.397 -6.398 1.00 0.00 C ATOM 746 CD GLN A 51 14.863 -2.114 -7.695 1.00 0.00 C ATOM 747 OE1 GLN A 51 14.064 -2.800 -8.313 1.00 0.00 O ATOM 748 NE2 GLN A 51 16.123 -1.918 -8.072 1.00 0.00 N ATOM 0 H GLN A 51 12.722 1.456 -8.349 1.00 0.00 H new ATOM 0 HA GLN A 51 12.560 -1.261 -8.050 1.00 0.00 H new ATOM 0 HB2 GLN A 51 14.339 0.556 -7.302 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.522 0.425 -5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.383 -1.173 -5.825 1.00 0.00 H new ATOM 0 HG3 GLN A 51 13.868 -2.053 -5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 51 16.739 -1.332 -7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 51 16.474 -2.354 -8.925 1.00 0.00 H new ATOM 757 N ALA A 52 10.570 0.320 -6.020 1.00 0.00 N ATOM 758 CA ALA A 52 9.479 0.157 -5.073 1.00 0.00 C ATOM 759 C ALA A 52 8.222 -0.291 -5.822 1.00 0.00 C ATOM 760 O ALA A 52 7.462 -1.120 -5.324 1.00 0.00 O ATOM 761 CB ALA A 52 9.267 1.466 -4.309 1.00 0.00 C ATOM 0 H ALA A 52 10.719 1.277 -6.339 1.00 0.00 H new ATOM 0 HA ALA A 52 9.718 -0.614 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.449 1.344 -3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.179 1.725 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.022 2.262 -5.012 1.00 0.00 H new ATOM 767 N LEU A 53 8.043 0.277 -7.005 1.00 0.00 N ATOM 768 CA LEU A 53 6.891 -0.053 -7.827 1.00 0.00 C ATOM 769 C LEU A 53 6.866 -1.562 -8.079 1.00 0.00 C ATOM 770 O LEU A 53 5.815 -2.193 -7.986 1.00 0.00 O ATOM 771 CB LEU A 53 6.888 0.785 -9.107 1.00 0.00 C ATOM 772 CG LEU A 53 6.351 2.211 -8.974 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.443 2.958 -10.306 1.00 0.00 C ATOM 774 CD2 LEU A 53 4.927 2.210 -8.415 1.00 0.00 C ATOM 0 H LEU A 53 8.676 0.964 -7.414 1.00 0.00 H new ATOM 0 HA LEU A 53 5.967 0.199 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.909 0.836 -9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.295 0.263 -9.858 1.00 0.00 H new ATOM 0 HG LEU A 53 6.977 2.747 -8.261 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.055 3.969 -10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.484 3.005 -10.626 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.856 2.433 -11.059 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.569 3.236 -8.330 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.273 1.652 -9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.923 1.742 -7.431 1.00 0.00 H new ATOM 786 N GLU A 54 8.037 -2.096 -8.394 1.00 0.00 N ATOM 787 CA GLU A 54 8.163 -3.519 -8.661 1.00 0.00 C ATOM 788 C GLU A 54 7.682 -4.330 -7.455 1.00 0.00 C ATOM 789 O GLU A 54 7.058 -5.377 -7.617 1.00 0.00 O ATOM 790 CB GLU A 54 9.603 -3.883 -9.026 1.00 0.00 C ATOM 791 CG GLU A 54 9.870 -5.371 -8.788 1.00 0.00 C ATOM 792 CD GLU A 54 10.737 -5.958 -9.904 1.00 0.00 C ATOM 793 OE1 GLU A 54 11.713 -5.274 -10.283 1.00 0.00 O ATOM 794 OE2 GLU A 54 10.405 -7.076 -10.352 1.00 0.00 O ATOM 0 H GLU A 54 8.907 -1.569 -8.470 1.00 0.00 H new ATOM 0 HA GLU A 54 7.533 -3.765 -9.515 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.789 -3.639 -10.072 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.295 -3.286 -8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.367 -5.506 -7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.924 -5.910 -8.736 1.00 0.00 H new ATOM 801 N ASP A 55 7.989 -3.813 -6.274 1.00 0.00 N ATOM 802 CA ASP A 55 7.596 -4.476 -5.043 1.00 0.00 C ATOM 803 C ASP A 55 6.075 -4.400 -4.891 1.00 0.00 C ATOM 804 O ASP A 55 5.455 -5.316 -4.354 1.00 0.00 O ATOM 805 CB ASP A 55 8.227 -3.796 -3.826 1.00 0.00 C ATOM 806 CG ASP A 55 8.966 -4.736 -2.871 1.00 0.00 C ATOM 807 OD1 ASP A 55 8.293 -5.637 -2.327 1.00 0.00 O ATOM 808 OD2 ASP A 55 10.189 -4.532 -2.708 1.00 0.00 O ATOM 0 H ASP A 55 8.505 -2.943 -6.144 1.00 0.00 H new ATOM 0 HA ASP A 55 7.934 -5.511 -5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.925 -3.035 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.444 -3.280 -3.270 1.00 0.00 H new ATOM 813 N VAL A 56 5.519 -3.299 -5.374 1.00 0.00 N ATOM 814 CA VAL A 56 4.083 -3.091 -5.299 1.00 0.00 C ATOM 815 C VAL A 56 3.374 -4.145 -6.152 1.00 0.00 C ATOM 816 O VAL A 56 2.337 -4.674 -5.757 1.00 0.00 O ATOM 817 CB VAL A 56 3.739 -1.658 -5.710 1.00 0.00 C ATOM 818 CG1 VAL A 56 2.224 -1.461 -5.795 1.00 0.00 C ATOM 819 CG2 VAL A 56 4.371 -0.646 -4.753 1.00 0.00 C ATOM 0 H VAL A 56 6.037 -2.541 -5.819 1.00 0.00 H new ATOM 0 HA VAL A 56 3.733 -3.213 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 56 4.156 -1.485 -6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.007 -0.434 -6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.809 -2.146 -6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.776 -1.663 -4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.111 0.364 -5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.999 -0.818 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.455 -0.762 -4.765 1.00 0.00 H new ATOM 829 N SER A 57 3.963 -4.418 -7.308 1.00 0.00 N ATOM 830 CA SER A 57 3.401 -5.398 -8.220 1.00 0.00 C ATOM 831 C SER A 57 3.833 -6.807 -7.807 1.00 0.00 C ATOM 832 O SER A 57 2.999 -7.700 -7.666 1.00 0.00 O ATOM 833 CB SER A 57 3.825 -5.115 -9.663 1.00 0.00 C ATOM 834 OG SER A 57 4.062 -6.315 -10.395 1.00 0.00 O ATOM 0 H SER A 57 4.824 -3.977 -7.633 1.00 0.00 H new ATOM 0 HA SER A 57 2.314 -5.328 -8.168 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.049 -4.534 -10.161 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.729 -4.506 -9.662 1.00 0.00 H new ATOM 0 HG SER A 57 4.329 -6.092 -11.311 1.00 0.00 H new ATOM 840 N ARG A 58 5.136 -6.961 -7.623 1.00 0.00 N ATOM 841 CA ARG A 58 5.689 -8.245 -7.228 1.00 0.00 C ATOM 842 C ARG A 58 5.174 -8.642 -5.843 1.00 0.00 C ATOM 843 O ARG A 58 5.168 -9.821 -5.493 1.00 0.00 O ATOM 844 CB ARG A 58 7.218 -8.202 -7.203 1.00 0.00 C ATOM 845 CG ARG A 58 7.733 -7.818 -5.815 1.00 0.00 C ATOM 846 CD ARG A 58 8.065 -9.063 -4.989 1.00 0.00 C ATOM 847 NE ARG A 58 8.937 -8.697 -3.851 1.00 0.00 N ATOM 848 CZ ARG A 58 9.618 -9.584 -3.112 1.00 0.00 C ATOM 849 NH1 ARG A 58 9.531 -10.892 -3.386 1.00 0.00 N ATOM 850 NH2 ARG A 58 10.386 -9.162 -2.098 1.00 0.00 N ATOM 0 H ARG A 58 5.825 -6.218 -7.740 1.00 0.00 H new ATOM 0 HA ARG A 58 5.370 -8.984 -7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.617 -9.176 -7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.577 -7.483 -7.940 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.622 -7.194 -5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.981 -7.223 -5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.147 -9.521 -4.622 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.562 -9.803 -5.616 1.00 0.00 H new ATOM 0 HE ARG A 58 9.025 -7.709 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.946 -11.214 -4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.049 -11.567 -2.823 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.452 -8.166 -1.889 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.904 -9.837 -1.536 1.00 0.00 H new ATOM 864 N GLY A 59 4.755 -7.634 -5.092 1.00 0.00 N ATOM 865 CA GLY A 59 4.239 -7.862 -3.753 1.00 0.00 C ATOM 866 C GLY A 59 2.749 -8.204 -3.790 1.00 0.00 C ATOM 867 O GLY A 59 2.263 -8.970 -2.959 1.00 0.00 O ATOM 0 H GLY A 59 4.762 -6.657 -5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.791 -8.675 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.397 -6.973 -3.143 1.00 0.00 H new ATOM 871 N GLY A 60 2.064 -7.621 -4.763 1.00 0.00 N ATOM 872 CA GLY A 60 0.639 -7.854 -4.920 1.00 0.00 C ATOM 873 C GLY A 60 -0.136 -6.534 -4.921 1.00 0.00 C ATOM 874 O GLY A 60 -1.189 -6.429 -5.547 1.00 0.00 O ATOM 0 H GLY A 60 2.470 -6.987 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.455 -8.389 -5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.280 -8.490 -4.111 1.00 0.00 H new ATOM 878 N SER A 61 0.416 -5.560 -4.212 1.00 0.00 N ATOM 879 CA SER A 61 -0.210 -4.252 -4.123 1.00 0.00 C ATOM 880 C SER A 61 -0.826 -3.874 -5.471 1.00 0.00 C ATOM 881 O SER A 61 -0.115 -3.733 -6.465 1.00 0.00 O ATOM 882 CB SER A 61 0.798 -3.188 -3.683 1.00 0.00 C ATOM 883 OG SER A 61 0.776 -2.982 -2.273 1.00 0.00 O ATOM 0 H SER A 61 1.290 -5.651 -3.694 1.00 0.00 H new ATOM 0 HA SER A 61 -0.998 -4.300 -3.371 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.800 -3.489 -3.990 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.578 -2.249 -4.190 1.00 0.00 H new ATOM 0 HG SER A 61 -0.075 -2.570 -2.016 1.00 0.00 H new ATOM 889 N PRO A 62 -2.177 -3.717 -5.461 1.00 0.00 N ATOM 890 CA PRO A 62 -2.897 -3.358 -6.671 1.00 0.00 C ATOM 891 C PRO A 62 -2.693 -1.881 -7.013 1.00 0.00 C ATOM 892 O PRO A 62 -2.441 -1.536 -8.167 1.00 0.00 O ATOM 893 CB PRO A 62 -4.349 -3.706 -6.383 1.00 0.00 C ATOM 894 CG PRO A 62 -4.460 -3.809 -4.870 1.00 0.00 C ATOM 895 CD PRO A 62 -3.051 -3.876 -4.303 1.00 0.00 C ATOM 0 HA PRO A 62 -2.539 -3.896 -7.549 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.019 -2.940 -6.773 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.628 -4.646 -6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.993 -2.948 -4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.027 -4.696 -4.588 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.882 -3.089 -3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.872 -4.826 -3.799 1.00 0.00 H new ATOM 903 N PHE A 63 -2.808 -1.048 -5.989 1.00 0.00 N ATOM 904 CA PHE A 63 -2.640 0.384 -6.167 1.00 0.00 C ATOM 905 C PHE A 63 -1.381 0.881 -5.452 1.00 0.00 C ATOM 906 O PHE A 63 -0.945 0.284 -4.469 1.00 0.00 O ATOM 907 CB PHE A 63 -3.864 1.060 -5.546 1.00 0.00 C ATOM 908 CG PHE A 63 -5.200 0.538 -6.080 1.00 0.00 C ATOM 909 CD1 PHE A 63 -5.243 -0.144 -7.256 1.00 0.00 C ATOM 910 CD2 PHE A 63 -6.344 0.755 -5.378 1.00 0.00 C ATOM 911 CE1 PHE A 63 -6.482 -0.629 -7.751 1.00 0.00 C ATOM 912 CE2 PHE A 63 -7.584 0.270 -5.873 1.00 0.00 C ATOM 913 CZ PHE A 63 -7.627 -0.411 -7.049 1.00 0.00 C ATOM 0 H PHE A 63 -3.016 -1.338 -5.033 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.541 0.617 -7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.836 0.918 -4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.806 2.133 -5.728 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.334 -0.317 -7.813 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.310 1.296 -4.444 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.516 -1.171 -8.685 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.493 0.442 -5.315 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.570 -0.779 -7.426 1.00 0.00 H new ATOM 923 N ALA A 64 -0.833 1.969 -5.974 1.00 0.00 N ATOM 924 CA ALA A 64 0.366 2.552 -5.398 1.00 0.00 C ATOM 925 C ALA A 64 0.293 4.076 -5.512 1.00 0.00 C ATOM 926 O ALA A 64 0.104 4.612 -6.604 1.00 0.00 O ATOM 927 CB ALA A 64 1.600 1.974 -6.093 1.00 0.00 C ATOM 0 H ALA A 64 -1.198 2.462 -6.789 1.00 0.00 H new ATOM 0 HA ALA A 64 0.442 2.304 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.500 2.412 -5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.621 0.893 -5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.560 2.205 -7.157 1.00 0.00 H new ATOM 933 N ILE A 65 0.445 4.732 -4.371 1.00 0.00 N ATOM 934 CA ILE A 65 0.398 6.183 -4.330 1.00 0.00 C ATOM 935 C ILE A 65 1.823 6.738 -4.405 1.00 0.00 C ATOM 936 O ILE A 65 2.743 6.175 -3.815 1.00 0.00 O ATOM 937 CB ILE A 65 -0.383 6.660 -3.104 1.00 0.00 C ATOM 938 CG1 ILE A 65 -1.890 6.627 -3.368 1.00 0.00 C ATOM 939 CG2 ILE A 65 0.090 8.044 -2.656 1.00 0.00 C ATOM 940 CD1 ILE A 65 -2.672 6.468 -2.062 1.00 0.00 C ATOM 0 H ILE A 65 0.601 4.285 -3.468 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.142 6.571 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.184 5.971 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.195 7.545 -3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.127 5.803 -4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.482 8.359 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.149 8.002 -2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.060 8.759 -3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.740 6.447 -2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.382 5.537 -1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.451 7.306 -1.401 1.00 0.00 H new ATOM 952 N VAL A 66 1.959 7.835 -5.135 1.00 0.00 N ATOM 953 CA VAL A 66 3.255 8.471 -5.295 1.00 0.00 C ATOM 954 C VAL A 66 3.281 9.774 -4.494 1.00 0.00 C ATOM 955 O VAL A 66 2.356 10.581 -4.584 1.00 0.00 O ATOM 956 CB VAL A 66 3.558 8.676 -6.781 1.00 0.00 C ATOM 957 CG1 VAL A 66 3.507 10.160 -7.151 1.00 0.00 C ATOM 958 CG2 VAL A 66 4.909 8.064 -7.155 1.00 0.00 C ATOM 0 H VAL A 66 1.193 8.300 -5.622 1.00 0.00 H new ATOM 0 HA VAL A 66 4.045 7.832 -4.901 1.00 0.00 H new ATOM 0 HB VAL A 66 2.787 8.161 -7.354 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.726 10.278 -8.212 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.513 10.554 -6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.246 10.707 -6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.100 8.224 -8.216 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.697 8.537 -6.569 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.894 6.994 -6.946 1.00 0.00 H new ATOM 968 N ILE A 67 4.350 9.941 -3.729 1.00 0.00 N ATOM 969 CA ILE A 67 4.508 11.132 -2.913 1.00 0.00 C ATOM 970 C ILE A 67 5.853 11.788 -3.231 1.00 0.00 C ATOM 971 O ILE A 67 6.805 11.108 -3.610 1.00 0.00 O ATOM 972 CB ILE A 67 4.322 10.796 -1.432 1.00 0.00 C ATOM 973 CG1 ILE A 67 3.131 9.858 -1.227 1.00 0.00 C ATOM 974 CG2 ILE A 67 4.201 12.068 -0.591 1.00 0.00 C ATOM 975 CD1 ILE A 67 1.809 10.622 -1.323 1.00 0.00 C ATOM 0 H ILE A 67 5.115 9.271 -3.657 1.00 0.00 H new ATOM 0 HA ILE A 67 3.733 11.861 -3.150 1.00 0.00 H new ATOM 0 HB ILE A 67 5.211 10.267 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.153 9.067 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.207 9.376 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.070 11.800 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.106 12.665 -0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.341 12.647 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.978 9.932 -1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.780 11.396 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.726 11.083 -2.307 1.00 0.00 H new ATOM 987 N THR A 68 5.888 13.102 -3.064 1.00 0.00 N ATOM 988 CA THR A 68 7.101 13.858 -3.328 1.00 0.00 C ATOM 989 C THR A 68 6.914 15.323 -2.932 1.00 0.00 C ATOM 990 O THR A 68 5.785 15.792 -2.787 1.00 0.00 O ATOM 991 CB THR A 68 7.464 13.669 -4.803 1.00 0.00 C ATOM 992 OG1 THR A 68 8.856 13.969 -4.859 1.00 0.00 O ATOM 993 CG2 THR A 68 6.818 14.723 -5.704 1.00 0.00 C ATOM 0 H THR A 68 5.096 13.662 -2.749 1.00 0.00 H new ATOM 0 HA THR A 68 7.932 13.495 -2.724 1.00 0.00 H new ATOM 0 HB THR A 68 7.156 12.675 -5.129 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.175 13.870 -5.780 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.108 14.543 -6.739 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.733 14.662 -5.615 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.152 15.715 -5.401 1.00 0.00 H new ATOM 1001 N GLN A 69 8.037 16.007 -2.766 1.00 0.00 N ATOM 1002 CA GLN A 69 8.010 17.409 -2.389 1.00 0.00 C ATOM 1003 C GLN A 69 6.862 18.129 -3.100 1.00 0.00 C ATOM 1004 O GLN A 69 5.925 18.597 -2.456 1.00 0.00 O ATOM 1005 CB GLN A 69 9.350 18.084 -2.691 1.00 0.00 C ATOM 1006 CG GLN A 69 10.254 18.085 -1.456 1.00 0.00 C ATOM 1007 CD GLN A 69 11.255 19.241 -1.511 1.00 0.00 C ATOM 1008 OE1 GLN A 69 11.528 19.811 -2.555 1.00 0.00 O ATOM 1009 NE2 GLN A 69 11.785 19.554 -0.332 1.00 0.00 N ATOM 0 H GLN A 69 8.971 15.616 -2.886 1.00 0.00 H new ATOM 0 HA GLN A 69 7.842 17.472 -1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.847 17.564 -3.510 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.179 19.108 -3.022 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.646 18.168 -0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.790 17.138 -1.392 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.512 19.036 0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.464 20.312 -0.263 1.00 0.00 H new ATOM 1018 N GLN A 70 6.974 18.194 -4.419 1.00 0.00 N ATOM 1019 CA GLN A 70 5.956 18.848 -5.224 1.00 0.00 C ATOM 1020 C GLN A 70 4.569 18.314 -4.863 1.00 0.00 C ATOM 1021 O GLN A 70 3.712 19.064 -4.399 1.00 0.00 O ATOM 1022 CB GLN A 70 6.241 18.671 -6.717 1.00 0.00 C ATOM 1023 CG GLN A 70 6.016 19.980 -7.477 1.00 0.00 C ATOM 1024 CD GLN A 70 7.251 20.358 -8.296 1.00 0.00 C ATOM 1025 OE1 GLN A 70 7.932 19.520 -8.864 1.00 0.00 O ATOM 1026 NE2 GLN A 70 7.502 21.664 -8.325 1.00 0.00 N ATOM 0 H GLN A 70 7.753 17.805 -4.950 1.00 0.00 H new ATOM 0 HA GLN A 70 5.980 19.916 -5.007 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.269 18.337 -6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.595 17.894 -7.125 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.155 19.878 -8.137 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.784 20.779 -6.772 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.891 22.312 -7.827 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.305 22.018 -8.845 1.00 0.00 H new ATOM 1035 N HIS A 71 4.390 17.021 -5.092 1.00 0.00 N ATOM 1036 CA HIS A 71 3.121 16.378 -4.797 1.00 0.00 C ATOM 1037 C HIS A 71 2.561 16.925 -3.482 1.00 0.00 C ATOM 1038 O HIS A 71 1.352 17.104 -3.344 1.00 0.00 O ATOM 1039 CB HIS A 71 3.273 14.855 -4.788 1.00 0.00 C ATOM 1040 CG HIS A 71 3.325 14.235 -6.164 1.00 0.00 C ATOM 1041 ND1 HIS A 71 4.145 13.164 -6.473 1.00 0.00 N ATOM 1042 CD2 HIS A 71 2.649 14.546 -7.307 1.00 0.00 C ATOM 1043 CE1 HIS A 71 3.964 12.854 -7.749 1.00 0.00 C ATOM 1044 NE2 HIS A 71 3.037 13.712 -8.264 1.00 0.00 N ATOM 0 H HIS A 71 5.103 16.402 -5.478 1.00 0.00 H new ATOM 0 HA HIS A 71 2.401 16.609 -5.582 1.00 0.00 H new ATOM 0 HB2 HIS A 71 4.184 14.594 -4.249 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.440 14.420 -4.236 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.921 15.337 -7.415 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.463 12.061 -8.287 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.698 13.713 -9.226 1.00 0.00 H new ATOM 1052 N GLN A 72 3.468 17.176 -2.549 1.00 0.00 N ATOM 1053 CA GLN A 72 3.080 17.699 -1.250 1.00 0.00 C ATOM 1054 C GLN A 72 2.422 19.072 -1.406 1.00 0.00 C ATOM 1055 O GLN A 72 1.337 19.307 -0.877 1.00 0.00 O ATOM 1056 CB GLN A 72 4.283 17.772 -0.307 1.00 0.00 C ATOM 1057 CG GLN A 72 3.832 17.809 1.155 1.00 0.00 C ATOM 1058 CD GLN A 72 4.840 18.566 2.021 1.00 0.00 C ATOM 1059 OE1 GLN A 72 5.881 19.009 1.564 1.00 0.00 O ATOM 1060 NE2 GLN A 72 4.474 18.690 3.294 1.00 0.00 N ATOM 0 H GLN A 72 4.470 17.027 -2.667 1.00 0.00 H new ATOM 0 HA GLN A 72 2.354 17.017 -0.808 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.930 16.910 -0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.873 18.661 -0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.855 18.287 1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.717 16.792 1.530 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.589 18.295 3.611 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.079 19.180 3.953 1.00 0.00 H new ATOM 1069 N ILE A 73 3.106 19.942 -2.134 1.00 0.00 N ATOM 1070 CA ILE A 73 2.601 21.284 -2.367 1.00 0.00 C ATOM 1071 C ILE A 73 1.211 21.199 -2.999 1.00 0.00 C ATOM 1072 O ILE A 73 0.223 21.608 -2.390 1.00 0.00 O ATOM 1073 CB ILE A 73 3.602 22.098 -3.189 1.00 0.00 C ATOM 1074 CG1 ILE A 73 4.889 22.346 -2.399 1.00 0.00 C ATOM 1075 CG2 ILE A 73 2.973 23.402 -3.685 1.00 0.00 C ATOM 1076 CD1 ILE A 73 6.107 22.358 -3.324 1.00 0.00 C ATOM 0 H ILE A 73 4.006 19.743 -2.570 1.00 0.00 H new ATOM 0 HA ILE A 73 2.490 21.818 -1.423 1.00 0.00 H new ATOM 0 HB ILE A 73 3.873 21.516 -4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.819 23.298 -1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.010 21.571 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.706 23.961 -4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.110 23.175 -4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.654 24.000 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.008 22.536 -2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.188 21.396 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.994 23.150 -4.064 1.00 0.00 H new ATOM 1088 N HIS A 74 1.178 20.667 -4.211 1.00 0.00 N ATOM 1089 CA HIS A 74 -0.075 20.523 -4.932 1.00 0.00 C ATOM 1090 C HIS A 74 -1.014 19.602 -4.151 1.00 0.00 C ATOM 1091 O HIS A 74 -2.220 19.591 -4.391 1.00 0.00 O ATOM 1092 CB HIS A 74 0.173 20.041 -6.363 1.00 0.00 C ATOM 1093 CG HIS A 74 0.592 21.135 -7.316 1.00 0.00 C ATOM 1094 ND1 HIS A 74 -0.060 22.353 -7.392 1.00 0.00 N ATOM 1095 CD2 HIS A 74 1.604 21.182 -8.230 1.00 0.00 C ATOM 1096 CE1 HIS A 74 0.539 23.091 -8.314 1.00 0.00 C ATOM 1097 NE2 HIS A 74 1.570 22.364 -8.833 1.00 0.00 N ATOM 0 H HIS A 74 2.000 20.330 -4.713 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.563 21.494 -5.017 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.945 19.272 -6.348 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.736 19.573 -6.740 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.313 20.392 -8.429 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.260 24.093 -8.604 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.209 22.677 -9.564 1.00 0.00 H new ATOM 1105 N ARG A 75 -0.425 18.852 -3.231 1.00 0.00 N ATOM 1106 CA ARG A 75 -1.194 17.930 -2.412 1.00 0.00 C ATOM 1107 C ARG A 75 -1.860 16.869 -3.291 1.00 0.00 C ATOM 1108 O ARG A 75 -2.963 16.415 -2.993 1.00 0.00 O ATOM 1109 CB ARG A 75 -2.269 18.669 -1.613 1.00 0.00 C ATOM 1110 CG ARG A 75 -1.748 19.068 -0.231 1.00 0.00 C ATOM 1111 CD ARG A 75 -1.970 20.559 0.029 1.00 0.00 C ATOM 1112 NE ARG A 75 -3.253 20.764 0.738 1.00 0.00 N ATOM 1113 CZ ARG A 75 -3.544 21.852 1.464 1.00 0.00 C ATOM 1114 NH1 ARG A 75 -2.646 22.839 1.582 1.00 0.00 N ATOM 1115 NH2 ARG A 75 -4.734 21.952 2.073 1.00 0.00 N ATOM 0 H ARG A 75 0.576 18.864 -3.035 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.506 17.450 -1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.584 19.559 -2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.148 18.033 -1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.255 18.482 0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.685 18.837 -0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.149 20.959 0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.975 21.104 -0.915 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.960 20.032 0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.740 22.763 1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.868 23.667 2.135 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.417 21.200 1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.956 22.780 2.626 1.00 0.00 H new ATOM 1129 N SER A 76 -1.162 16.506 -4.357 1.00 0.00 N ATOM 1130 CA SER A 76 -1.672 15.508 -5.281 1.00 0.00 C ATOM 1131 C SER A 76 -0.670 14.359 -5.415 1.00 0.00 C ATOM 1132 O SER A 76 0.540 14.581 -5.405 1.00 0.00 O ATOM 1133 CB SER A 76 -1.961 16.122 -6.652 1.00 0.00 C ATOM 1134 OG SER A 76 -0.838 16.033 -7.525 1.00 0.00 O ATOM 0 H SER A 76 -0.247 16.885 -4.601 1.00 0.00 H new ATOM 0 HA SER A 76 -2.609 15.121 -4.882 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.813 15.614 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.242 17.168 -6.529 1.00 0.00 H new ATOM 0 HG SER A 76 -1.064 16.434 -8.390 1.00 0.00 H new ATOM 1140 N CYS A 77 -1.211 13.155 -5.537 1.00 0.00 N ATOM 1141 CA CYS A 77 -0.380 11.972 -5.673 1.00 0.00 C ATOM 1142 C CYS A 77 -0.736 11.283 -6.992 1.00 0.00 C ATOM 1143 O CYS A 77 -1.659 11.705 -7.687 1.00 0.00 O ATOM 1144 CB CYS A 77 -0.536 11.030 -4.477 1.00 0.00 C ATOM 1145 SG CYS A 77 -2.291 10.954 -3.966 1.00 0.00 S ATOM 0 H CYS A 77 -2.215 12.974 -5.544 1.00 0.00 H new ATOM 0 HA CYS A 77 0.670 12.263 -5.688 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.182 10.033 -4.740 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.078 11.378 -3.647 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.493 9.877 -3.267 1.00 0.00 H new ATOM 1151 N THR A 78 0.013 10.233 -7.296 1.00 0.00 N ATOM 1152 CA THR A 78 -0.213 9.482 -8.519 1.00 0.00 C ATOM 1153 C THR A 78 -0.634 8.047 -8.193 1.00 0.00 C ATOM 1154 O THR A 78 0.148 7.278 -7.636 1.00 0.00 O ATOM 1155 CB THR A 78 1.058 9.564 -9.366 1.00 0.00 C ATOM 1156 OG1 THR A 78 1.167 10.947 -9.695 1.00 0.00 O ATOM 1157 CG2 THR A 78 0.905 8.870 -10.721 1.00 0.00 C ATOM 0 H THR A 78 0.777 9.885 -6.716 1.00 0.00 H new ATOM 0 HA THR A 78 -1.034 9.906 -9.097 1.00 0.00 H new ATOM 0 HB THR A 78 1.887 9.115 -8.820 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.967 11.091 -10.243 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.835 8.958 -11.282 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.673 7.816 -10.566 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.098 9.341 -11.282 1.00 0.00 H new ATOM 1165 N VAL A 79 -1.868 7.730 -8.555 1.00 0.00 N ATOM 1166 CA VAL A 79 -2.403 6.402 -8.308 1.00 0.00 C ATOM 1167 C VAL A 79 -2.119 5.510 -9.519 1.00 0.00 C ATOM 1168 O VAL A 79 -2.657 5.738 -10.602 1.00 0.00 O ATOM 1169 CB VAL A 79 -3.892 6.492 -7.968 1.00 0.00 C ATOM 1170 CG1 VAL A 79 -4.475 5.105 -7.689 1.00 0.00 C ATOM 1171 CG2 VAL A 79 -4.128 7.433 -6.785 1.00 0.00 C ATOM 0 H VAL A 79 -2.513 8.370 -9.018 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.914 5.947 -7.447 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.409 6.905 -8.834 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.534 5.197 -7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.355 4.476 -8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.951 4.653 -6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.194 7.479 -6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.592 7.061 -5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.766 8.430 -7.035 1.00 0.00 H new ATOM 1181 N ASN A 80 -1.276 4.513 -9.295 1.00 0.00 N ATOM 1182 CA ASN A 80 -0.914 3.586 -10.353 1.00 0.00 C ATOM 1183 C ASN A 80 -1.480 2.202 -10.029 1.00 0.00 C ATOM 1184 O ASN A 80 -1.125 1.605 -9.014 1.00 0.00 O ATOM 1185 CB ASN A 80 0.605 3.458 -10.479 1.00 0.00 C ATOM 1186 CG ASN A 80 1.172 4.537 -11.404 1.00 0.00 C ATOM 1187 OD1 ASN A 80 0.861 4.608 -12.581 1.00 0.00 O ATOM 1188 ND2 ASN A 80 2.019 5.371 -10.807 1.00 0.00 N ATOM 0 H ASN A 80 -0.833 4.327 -8.395 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.322 3.968 -11.289 1.00 0.00 H new ATOM 0 HB2 ASN A 80 1.063 3.541 -9.494 1.00 0.00 H new ATOM 0 HB3 ASN A 80 0.859 2.471 -10.867 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.451 6.126 -11.339 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.236 5.255 -9.817 1.00 0.00 H new ATOM 1195 N ILE A 81 -2.352 1.733 -10.909 1.00 0.00 N ATOM 1196 CA ILE A 81 -2.970 0.430 -10.729 1.00 0.00 C ATOM 1197 C ILE A 81 -2.046 -0.651 -11.293 1.00 0.00 C ATOM 1198 O ILE A 81 -1.373 -0.434 -12.300 1.00 0.00 O ATOM 1199 CB ILE A 81 -4.375 0.416 -11.335 1.00 0.00 C ATOM 1200 CG1 ILE A 81 -5.373 1.133 -10.423 1.00 0.00 C ATOM 1201 CG2 ILE A 81 -4.818 -1.012 -11.659 1.00 0.00 C ATOM 1202 CD1 ILE A 81 -6.756 1.204 -11.072 1.00 0.00 C ATOM 0 H ILE A 81 -2.645 2.232 -11.749 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.102 0.214 -9.669 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.347 0.966 -12.276 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.441 0.609 -9.470 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.016 2.140 -10.208 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.820 -0.994 -12.088 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.125 -1.455 -12.374 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.826 -1.607 -10.746 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.446 1.718 -10.403 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.689 1.750 -12.013 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.120 0.195 -11.263 1.00 0.00 H new ATOM 1214 N MET A 82 -2.043 -1.792 -10.620 1.00 0.00 N ATOM 1215 CA MET A 82 -1.213 -2.907 -11.042 1.00 0.00 C ATOM 1216 C MET A 82 -2.063 -4.028 -11.643 1.00 0.00 C ATOM 1217 O MET A 82 -1.591 -4.785 -12.490 1.00 0.00 O ATOM 1218 CB MET A 82 -0.433 -3.446 -9.840 1.00 0.00 C ATOM 1219 CG MET A 82 0.444 -2.356 -9.222 1.00 0.00 C ATOM 1220 SD MET A 82 1.571 -1.712 -10.447 1.00 0.00 S ATOM 1221 CE MET A 82 2.866 -1.095 -9.384 1.00 0.00 C ATOM 0 H MET A 82 -2.602 -1.968 -9.785 1.00 0.00 H new ATOM 0 HA MET A 82 -0.522 -2.552 -11.806 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.128 -3.826 -9.092 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.189 -4.285 -10.152 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.181 -1.552 -8.833 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.003 -2.762 -8.379 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.623 -0.593 -9.986 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.444 -0.389 -8.669 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.323 -1.926 -8.847 1.00 0.00 H new ATOM 1231 N PHE A 83 -3.303 -4.098 -11.182 1.00 0.00 N ATOM 1232 CA PHE A 83 -4.225 -5.113 -11.664 1.00 0.00 C ATOM 1233 C PHE A 83 -5.186 -4.532 -12.702 1.00 0.00 C ATOM 1234 O PHE A 83 -5.528 -3.352 -12.645 1.00 0.00 O ATOM 1235 CB PHE A 83 -5.029 -5.597 -10.456 1.00 0.00 C ATOM 1236 CG PHE A 83 -6.324 -4.818 -10.217 1.00 0.00 C ATOM 1237 CD1 PHE A 83 -7.361 -4.941 -11.088 1.00 0.00 C ATOM 1238 CD2 PHE A 83 -6.437 -4.002 -9.135 1.00 0.00 C ATOM 1239 CE1 PHE A 83 -8.563 -4.218 -10.867 1.00 0.00 C ATOM 1240 CE2 PHE A 83 -7.639 -3.279 -8.914 1.00 0.00 C ATOM 1241 CZ PHE A 83 -8.677 -3.402 -9.784 1.00 0.00 C ATOM 0 H PHE A 83 -3.691 -3.468 -10.480 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.671 -5.925 -12.136 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.271 -6.651 -10.592 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.405 -5.526 -9.565 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -7.270 -5.588 -11.948 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.613 -3.904 -8.444 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -9.387 -4.316 -11.559 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -7.729 -2.631 -8.055 1.00 0.00 H new ATOM 0 HZ PHE A 83 -9.591 -2.852 -9.615 1.00 0.00 H new ATOM 1251 N GLY A 84 -5.596 -5.388 -13.627 1.00 0.00 N ATOM 1252 CA GLY A 84 -6.512 -4.975 -14.677 1.00 0.00 C ATOM 1253 C GLY A 84 -5.804 -4.088 -15.703 1.00 0.00 C ATOM 1254 O GLY A 84 -4.576 -4.024 -15.732 1.00 0.00 O ATOM 0 H GLY A 84 -5.310 -6.366 -13.671 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.923 -5.854 -15.173 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.351 -4.434 -14.240 1.00 0.00 H new ATOM 1258 N THR A 85 -6.610 -3.426 -16.520 1.00 0.00 N ATOM 1259 CA THR A 85 -6.077 -2.545 -17.546 1.00 0.00 C ATOM 1260 C THR A 85 -5.072 -1.564 -16.937 1.00 0.00 C ATOM 1261 O THR A 85 -5.226 -1.144 -15.791 1.00 0.00 O ATOM 1262 CB THR A 85 -7.255 -1.857 -18.237 1.00 0.00 C ATOM 1263 OG1 THR A 85 -7.758 -2.845 -19.132 1.00 0.00 O ATOM 1264 CG2 THR A 85 -6.811 -0.715 -19.154 1.00 0.00 C ATOM 0 H THR A 85 -7.628 -3.482 -16.493 1.00 0.00 H new ATOM 0 HA THR A 85 -5.522 -3.105 -18.299 1.00 0.00 H new ATOM 0 HB THR A 85 -7.942 -1.471 -17.484 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.526 -2.483 -19.621 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.686 -0.261 -19.619 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.280 0.036 -18.569 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.150 -1.106 -19.928 1.00 0.00 H new ATOM 1272 N PRO A 86 -4.040 -1.219 -17.752 1.00 0.00 N ATOM 1273 CA PRO A 86 -3.011 -0.296 -17.306 1.00 0.00 C ATOM 1274 C PRO A 86 -3.531 1.143 -17.298 1.00 0.00 C ATOM 1275 O PRO A 86 -3.608 1.785 -18.345 1.00 0.00 O ATOM 1276 CB PRO A 86 -1.852 -0.504 -18.268 1.00 0.00 C ATOM 1277 CG PRO A 86 -2.442 -1.192 -19.488 1.00 0.00 C ATOM 1278 CD PRO A 86 -3.826 -1.697 -19.115 1.00 0.00 C ATOM 0 HA PRO A 86 -2.697 -0.481 -16.279 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -1.394 0.447 -18.539 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.072 -1.115 -17.814 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.502 -0.498 -20.326 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -1.806 -2.019 -19.804 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.585 -1.310 -19.794 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.878 -2.785 -19.166 1.00 0.00 H new ATOM 1286 N GLN A 87 -3.874 1.608 -16.106 1.00 0.00 N ATOM 1287 CA GLN A 87 -4.384 2.959 -15.948 1.00 0.00 C ATOM 1288 C GLN A 87 -3.428 3.791 -15.091 1.00 0.00 C ATOM 1289 O GLN A 87 -3.301 3.558 -13.890 1.00 0.00 O ATOM 1290 CB GLN A 87 -5.790 2.947 -15.345 1.00 0.00 C ATOM 1291 CG GLN A 87 -6.848 3.224 -16.415 1.00 0.00 C ATOM 1292 CD GLN A 87 -6.802 4.686 -16.865 1.00 0.00 C ATOM 1293 OE1 GLN A 87 -5.770 5.212 -17.248 1.00 0.00 O ATOM 1294 NE2 GLN A 87 -7.975 5.310 -16.798 1.00 0.00 N ATOM 0 H GLN A 87 -3.809 1.073 -15.240 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.450 3.419 -16.934 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.982 1.980 -14.880 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.858 3.698 -14.558 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.684 2.571 -17.272 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.838 2.992 -16.022 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.800 4.810 -16.468 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.049 6.288 -17.077 1.00 0.00 H new ATOM 1303 N GLU A 88 -2.778 4.745 -15.743 1.00 0.00 N ATOM 1304 CA GLU A 88 -1.837 5.613 -15.056 1.00 0.00 C ATOM 1305 C GLU A 88 -2.457 6.993 -14.828 1.00 0.00 C ATOM 1306 O GLU A 88 -2.544 7.799 -15.754 1.00 0.00 O ATOM 1307 CB GLU A 88 -0.524 5.723 -15.834 1.00 0.00 C ATOM 1308 CG GLU A 88 0.483 6.600 -15.089 1.00 0.00 C ATOM 1309 CD GLU A 88 1.624 7.031 -16.012 1.00 0.00 C ATOM 1310 OE1 GLU A 88 1.323 7.750 -16.990 1.00 0.00 O ATOM 1311 OE2 GLU A 88 2.772 6.632 -15.720 1.00 0.00 O ATOM 0 H GLU A 88 -2.885 4.935 -16.739 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.610 5.174 -14.085 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.103 4.729 -15.986 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.716 6.143 -16.821 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.021 7.481 -14.692 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.887 6.053 -14.237 1.00 0.00 H new ATOM 1318 N HIS A 89 -2.872 7.223 -13.591 1.00 0.00 N ATOM 1319 CA HIS A 89 -3.481 8.492 -13.230 1.00 0.00 C ATOM 1320 C HIS A 89 -2.393 9.483 -12.811 1.00 0.00 C ATOM 1321 O HIS A 89 -1.766 9.316 -11.765 1.00 0.00 O ATOM 1322 CB HIS A 89 -4.550 8.295 -12.154 1.00 0.00 C ATOM 1323 CG HIS A 89 -5.830 7.679 -12.665 1.00 0.00 C ATOM 1324 ND1 HIS A 89 -6.908 8.436 -13.090 1.00 0.00 N ATOM 1325 CD2 HIS A 89 -6.193 6.373 -12.817 1.00 0.00 C ATOM 1326 CE1 HIS A 89 -7.871 7.612 -13.477 1.00 0.00 C ATOM 1327 NE2 HIS A 89 -7.426 6.334 -13.306 1.00 0.00 N ATOM 0 H HIS A 89 -2.799 6.552 -12.826 1.00 0.00 H new ATOM 0 HA HIS A 89 -3.993 8.913 -14.095 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -4.144 7.662 -11.365 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.779 9.260 -11.702 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.581 5.516 -12.580 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.838 7.901 -13.860 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -7.954 5.488 -13.519 1.00 0.00 H new ATOM 1335 N ARG A 90 -2.201 10.492 -13.648 1.00 0.00 N ATOM 1336 CA ARG A 90 -1.200 11.509 -13.377 1.00 0.00 C ATOM 1337 C ARG A 90 -1.867 12.788 -12.866 1.00 0.00 C ATOM 1338 O ARG A 90 -2.804 13.292 -13.482 1.00 0.00 O ATOM 1339 CB ARG A 90 -0.389 11.832 -14.634 1.00 0.00 C ATOM 1340 CG ARG A 90 0.713 10.795 -14.857 1.00 0.00 C ATOM 1341 CD ARG A 90 1.531 11.125 -16.107 1.00 0.00 C ATOM 1342 NE ARG A 90 2.709 11.942 -15.740 1.00 0.00 N ATOM 1343 CZ ARG A 90 3.744 11.488 -15.020 1.00 0.00 C ATOM 1344 NH1 ARG A 90 3.753 10.220 -14.586 1.00 0.00 N ATOM 1345 NH2 ARG A 90 4.770 12.301 -14.735 1.00 0.00 N ATOM 0 H ARG A 90 -2.722 10.627 -14.514 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.527 11.117 -12.615 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.050 11.858 -15.501 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.053 12.824 -14.541 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.369 10.763 -13.987 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.270 9.804 -14.959 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.854 10.205 -16.594 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.913 11.665 -16.824 1.00 0.00 H new ATOM 0 HE ARG A 90 2.735 12.912 -16.055 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.972 9.601 -14.804 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.541 9.874 -14.038 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.763 13.266 -15.066 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.558 11.955 -14.187 1.00 0.00 H new ATOM 1359 N ASN A 91 -1.357 13.275 -11.744 1.00 0.00 N ATOM 1360 CA ASN A 91 -1.892 14.485 -11.143 1.00 0.00 C ATOM 1361 C ASN A 91 -3.368 14.270 -10.801 1.00 0.00 C ATOM 1362 O ASN A 91 -4.239 14.457 -11.649 1.00 0.00 O ATOM 1363 CB ASN A 91 -1.798 15.668 -12.108 1.00 0.00 C ATOM 1364 CG ASN A 91 -1.539 16.973 -11.353 1.00 0.00 C ATOM 1365 OD1 ASN A 91 -2.442 17.733 -11.048 1.00 0.00 O ATOM 1366 ND2 ASN A 91 -0.257 17.189 -11.070 1.00 0.00 N ATOM 0 H ASN A 91 -0.579 12.854 -11.236 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.309 14.703 -10.248 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -0.996 15.494 -12.825 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.723 15.751 -12.678 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.019 18.033 -10.568 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.449 16.511 -11.355 1.00 0.00 H new ATOM 1373 N MET A 92 -3.604 13.880 -9.557 1.00 0.00 N ATOM 1374 CA MET A 92 -4.959 13.638 -9.093 1.00 0.00 C ATOM 1375 C MET A 92 -5.159 14.181 -7.676 1.00 0.00 C ATOM 1376 O MET A 92 -4.297 14.010 -6.815 1.00 0.00 O ATOM 1377 CB MET A 92 -5.243 12.134 -9.108 1.00 0.00 C ATOM 1378 CG MET A 92 -5.939 11.721 -10.407 1.00 0.00 C ATOM 1379 SD MET A 92 -7.704 11.927 -10.247 1.00 0.00 S ATOM 1380 CE MET A 92 -8.113 10.424 -9.374 1.00 0.00 C ATOM 0 H MET A 92 -2.879 13.726 -8.856 1.00 0.00 H new ATOM 0 HA MET A 92 -5.649 14.154 -9.761 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.309 11.583 -9.000 1.00 0.00 H new ATOM 0 HB3 MET A 92 -5.869 11.870 -8.256 1.00 0.00 H new ATOM 0 HG2 MET A 92 -5.568 12.324 -11.236 1.00 0.00 H new ATOM 0 HG3 MET A 92 -5.706 10.682 -10.640 1.00 0.00 H new ATOM 0 HE1 MET A 92 -9.197 10.320 -9.316 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.695 9.569 -9.906 1.00 0.00 H new ATOM 0 HE3 MET A 92 -7.698 10.464 -8.367 1.00 0.00 H new ATOM 1390 N PRO A 93 -6.330 14.841 -7.474 1.00 0.00 N ATOM 1391 CA PRO A 93 -6.654 15.410 -6.177 1.00 0.00 C ATOM 1392 C PRO A 93 -7.058 14.318 -5.184 1.00 0.00 C ATOM 1393 O PRO A 93 -7.776 13.385 -5.540 1.00 0.00 O ATOM 1394 CB PRO A 93 -7.770 16.405 -6.451 1.00 0.00 C ATOM 1395 CG PRO A 93 -8.346 16.023 -7.805 1.00 0.00 C ATOM 1396 CD PRO A 93 -7.374 15.062 -8.470 1.00 0.00 C ATOM 0 HA PRO A 93 -5.802 15.905 -5.711 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.534 16.359 -5.675 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.389 17.426 -6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.324 15.556 -7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.489 16.909 -8.423 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.865 14.128 -8.743 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.963 15.486 -9.387 1.00 0.00 H new ATOM 1404 N GLN A 94 -6.579 14.470 -3.958 1.00 0.00 N ATOM 1405 CA GLN A 94 -6.881 13.508 -2.912 1.00 0.00 C ATOM 1406 C GLN A 94 -8.334 13.043 -3.022 1.00 0.00 C ATOM 1407 O GLN A 94 -8.596 11.869 -3.280 1.00 0.00 O ATOM 1408 CB GLN A 94 -6.596 14.096 -1.528 1.00 0.00 C ATOM 1409 CG GLN A 94 -5.512 13.295 -0.804 1.00 0.00 C ATOM 1410 CD GLN A 94 -4.164 14.015 -0.869 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -3.907 14.972 -0.158 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -3.319 13.501 -1.758 1.00 0.00 N ATOM 0 H GLN A 94 -5.984 15.245 -3.666 1.00 0.00 H new ATOM 0 HA GLN A 94 -6.232 12.642 -3.043 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.280 15.134 -1.628 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.510 14.097 -0.934 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.799 13.146 0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.423 12.307 -1.255 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.598 12.698 -2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.392 13.910 -1.876 1.00 0.00 H new ATOM 1421 N ALA A 95 -9.241 13.988 -2.821 1.00 0.00 N ATOM 1422 CA ALA A 95 -10.661 13.689 -2.895 1.00 0.00 C ATOM 1423 C ALA A 95 -10.915 12.720 -4.051 1.00 0.00 C ATOM 1424 O ALA A 95 -11.586 11.704 -3.879 1.00 0.00 O ATOM 1425 CB ALA A 95 -11.450 14.992 -3.041 1.00 0.00 C ATOM 0 H ALA A 95 -9.020 14.961 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.999 13.204 -1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.515 14.768 -3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.258 15.632 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.139 15.505 -3.951 1.00 0.00 H new ATOM 1431 N ASP A 96 -10.366 13.070 -5.205 1.00 0.00 N ATOM 1432 CA ASP A 96 -10.524 12.244 -6.390 1.00 0.00 C ATOM 1433 C ASP A 96 -9.875 10.880 -6.147 1.00 0.00 C ATOM 1434 O ASP A 96 -10.539 9.848 -6.236 1.00 0.00 O ATOM 1435 CB ASP A 96 -9.843 12.883 -7.602 1.00 0.00 C ATOM 1436 CG ASP A 96 -10.791 13.549 -8.601 1.00 0.00 C ATOM 1437 OD1 ASP A 96 -11.703 14.261 -8.129 1.00 0.00 O ATOM 1438 OD2 ASP A 96 -10.582 13.330 -9.814 1.00 0.00 O ATOM 0 H ASP A 96 -9.811 13.914 -5.345 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.591 12.141 -6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.130 13.628 -7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.270 12.116 -8.124 1.00 0.00 H new ATOM 1443 N ALA A 97 -8.586 10.920 -5.845 1.00 0.00 N ATOM 1444 CA ALA A 97 -7.840 9.700 -5.588 1.00 0.00 C ATOM 1445 C ALA A 97 -8.641 8.808 -4.637 1.00 0.00 C ATOM 1446 O ALA A 97 -8.729 7.598 -4.842 1.00 0.00 O ATOM 1447 CB ALA A 97 -6.459 10.053 -5.031 1.00 0.00 C ATOM 0 H ALA A 97 -8.039 11.778 -5.772 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.686 9.143 -6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.900 9.138 -4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.919 10.662 -5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.573 10.611 -4.102 1.00 0.00 H new ATOM 1453 N MET A 98 -9.204 9.440 -3.617 1.00 0.00 N ATOM 1454 CA MET A 98 -9.994 8.719 -2.635 1.00 0.00 C ATOM 1455 C MET A 98 -11.227 8.084 -3.281 1.00 0.00 C ATOM 1456 O MET A 98 -11.711 7.050 -2.822 1.00 0.00 O ATOM 1457 CB MET A 98 -10.435 9.680 -1.529 1.00 0.00 C ATOM 1458 CG MET A 98 -9.235 10.171 -0.718 1.00 0.00 C ATOM 1459 SD MET A 98 -8.392 8.784 0.026 1.00 0.00 S ATOM 1460 CE MET A 98 -6.780 8.965 -0.718 1.00 0.00 C ATOM 0 H MET A 98 -9.128 10.443 -3.450 1.00 0.00 H new ATOM 0 HA MET A 98 -9.378 7.924 -2.214 1.00 0.00 H new ATOM 0 HB2 MET A 98 -10.954 10.532 -1.968 1.00 0.00 H new ATOM 0 HB3 MET A 98 -11.144 9.180 -0.869 1.00 0.00 H new ATOM 0 HG2 MET A 98 -8.549 10.720 -1.364 1.00 0.00 H new ATOM 0 HG3 MET A 98 -9.567 10.863 0.056 1.00 0.00 H new ATOM 0 HE1 MET A 98 -6.011 8.839 0.044 1.00 0.00 H new ATOM 0 HE2 MET A 98 -6.650 8.210 -1.493 1.00 0.00 H new ATOM 0 HE3 MET A 98 -6.693 9.957 -1.160 1.00 0.00 H new ATOM 1470 N VAL A 99 -11.700 8.729 -4.338 1.00 0.00 N ATOM 1471 CA VAL A 99 -12.867 8.240 -5.052 1.00 0.00 C ATOM 1472 C VAL A 99 -12.435 7.164 -6.050 1.00 0.00 C ATOM 1473 O VAL A 99 -13.098 6.137 -6.187 1.00 0.00 O ATOM 1474 CB VAL A 99 -13.602 9.408 -5.713 1.00 0.00 C ATOM 1475 CG1 VAL A 99 -13.373 9.414 -7.226 1.00 0.00 C ATOM 1476 CG2 VAL A 99 -15.096 9.371 -5.385 1.00 0.00 C ATOM 0 H VAL A 99 -11.296 9.586 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 99 -13.572 7.778 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 99 -13.193 10.334 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.906 10.254 -7.671 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.307 9.510 -7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.742 8.482 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.595 10.212 -5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -15.525 8.437 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -15.233 9.438 -4.306 1.00 0.00 H new ATOM 1486 N LEU A 100 -11.326 7.435 -6.721 1.00 0.00 N ATOM 1487 CA LEU A 100 -10.797 6.503 -7.703 1.00 0.00 C ATOM 1488 C LEU A 100 -10.395 5.204 -7.001 1.00 0.00 C ATOM 1489 O LEU A 100 -10.424 4.133 -7.605 1.00 0.00 O ATOM 1490 CB LEU A 100 -9.661 7.149 -8.498 1.00 0.00 C ATOM 1491 CG LEU A 100 -8.615 6.191 -9.072 1.00 0.00 C ATOM 1492 CD1 LEU A 100 -8.493 6.356 -10.588 1.00 0.00 C ATOM 1493 CD2 LEU A 100 -7.269 6.364 -8.366 1.00 0.00 C ATOM 0 H LEU A 100 -10.778 8.287 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.562 6.247 -8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.097 7.715 -9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.153 7.865 -7.852 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.948 5.170 -8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.743 5.664 -10.970 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.454 6.144 -11.056 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.194 7.378 -10.820 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.543 5.672 -8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.917 7.387 -8.499 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.387 6.157 -7.302 1.00 0.00 H new ATOM 1505 N VAL A 101 -10.030 5.342 -5.735 1.00 0.00 N ATOM 1506 CA VAL A 101 -9.623 4.193 -4.944 1.00 0.00 C ATOM 1507 C VAL A 101 -10.858 3.553 -4.307 1.00 0.00 C ATOM 1508 O VAL A 101 -11.052 2.342 -4.399 1.00 0.00 O ATOM 1509 CB VAL A 101 -8.569 4.612 -3.916 1.00 0.00 C ATOM 1510 CG1 VAL A 101 -9.227 5.056 -2.608 1.00 0.00 C ATOM 1511 CG2 VAL A 101 -7.565 3.484 -3.670 1.00 0.00 C ATOM 0 H VAL A 101 -10.008 6.232 -5.237 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.157 3.439 -5.579 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.023 5.463 -4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.457 5.349 -1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -9.884 5.904 -2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.810 4.232 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.827 3.807 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.090 2.605 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.062 3.234 -4.604 1.00 0.00 H new ATOM 1521 N ALA A 102 -11.662 4.396 -3.676 1.00 0.00 N ATOM 1522 CA ALA A 102 -12.874 3.928 -3.025 1.00 0.00 C ATOM 1523 C ALA A 102 -13.794 3.289 -4.066 1.00 0.00 C ATOM 1524 O ALA A 102 -14.504 2.330 -3.768 1.00 0.00 O ATOM 1525 CB ALA A 102 -13.543 5.094 -2.293 1.00 0.00 C ATOM 0 H ALA A 102 -11.498 5.400 -3.602 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.640 3.166 -2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.452 4.743 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.859 5.493 -1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.794 5.877 -3.009 1.00 0.00 H new ATOM 1531 N ARG A 103 -13.752 3.846 -5.268 1.00 0.00 N ATOM 1532 CA ARG A 103 -14.573 3.343 -6.356 1.00 0.00 C ATOM 1533 C ARG A 103 -14.031 2.001 -6.852 1.00 0.00 C ATOM 1534 O ARG A 103 -14.682 0.969 -6.697 1.00 0.00 O ATOM 1535 CB ARG A 103 -14.611 4.333 -7.521 1.00 0.00 C ATOM 1536 CG ARG A 103 -15.499 5.535 -7.191 1.00 0.00 C ATOM 1537 CD ARG A 103 -16.759 5.540 -8.059 1.00 0.00 C ATOM 1538 NE ARG A 103 -16.442 6.054 -9.409 1.00 0.00 N ATOM 1539 CZ ARG A 103 -17.321 6.107 -10.419 1.00 0.00 C ATOM 1540 NH1 ARG A 103 -18.577 5.677 -10.237 1.00 0.00 N ATOM 1541 NH2 ARG A 103 -16.945 6.590 -11.611 1.00 0.00 N ATOM 0 H ARG A 103 -13.162 4.641 -5.512 1.00 0.00 H new ATOM 0 HA ARG A 103 -15.585 3.211 -5.974 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.600 4.674 -7.746 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -14.986 3.834 -8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -15.779 5.507 -6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -14.941 6.458 -7.348 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -17.165 4.531 -8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -17.527 6.160 -7.596 1.00 0.00 H new ATOM 0 HE ARG A 103 -15.494 6.389 -9.582 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -18.864 5.309 -9.330 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -19.246 5.717 -11.006 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.989 6.918 -11.750 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -17.615 6.630 -12.379 1.00 0.00 H new ATOM 1555 N ASN A 104 -12.845 2.059 -7.440 1.00 0.00 N ATOM 1556 CA ASN A 104 -12.208 0.862 -7.961 1.00 0.00 C ATOM 1557 C ASN A 104 -12.241 -0.233 -6.893 1.00 0.00 C ATOM 1558 O ASN A 104 -12.756 -1.324 -7.132 1.00 0.00 O ATOM 1559 CB ASN A 104 -10.745 1.128 -8.321 1.00 0.00 C ATOM 1560 CG ASN A 104 -10.608 1.540 -9.788 1.00 0.00 C ATOM 1561 OD1 ASN A 104 -9.995 0.861 -10.595 1.00 0.00 O ATOM 1562 ND2 ASN A 104 -11.211 2.687 -10.086 1.00 0.00 N ATOM 0 H ASN A 104 -12.308 2.917 -7.567 1.00 0.00 H new ATOM 0 HA ASN A 104 -12.749 0.554 -8.856 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -10.346 1.914 -7.680 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -10.152 0.233 -8.134 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -11.177 3.048 -11.039 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.707 3.206 -9.361 1.00 0.00 H new ATOM 1569 N TYR A 105 -11.683 0.096 -5.736 1.00 0.00 N ATOM 1570 CA TYR A 105 -11.642 -0.846 -4.631 1.00 0.00 C ATOM 1571 C TYR A 105 -12.937 -1.657 -4.552 1.00 0.00 C ATOM 1572 O TYR A 105 -12.910 -2.885 -4.611 1.00 0.00 O ATOM 1573 CB TYR A 105 -11.504 -0.002 -3.362 1.00 0.00 C ATOM 1574 CG TYR A 105 -11.668 -0.796 -2.065 1.00 0.00 C ATOM 1575 CD1 TYR A 105 -10.946 -1.957 -1.871 1.00 0.00 C ATOM 1576 CD2 TYR A 105 -12.537 -0.353 -1.089 1.00 0.00 C ATOM 1577 CE1 TYR A 105 -11.100 -2.704 -0.650 1.00 0.00 C ATOM 1578 CE2 TYR A 105 -12.690 -1.101 0.132 1.00 0.00 C ATOM 1579 CZ TYR A 105 -11.964 -2.240 0.291 1.00 0.00 C ATOM 1580 OH TYR A 105 -12.109 -2.946 1.444 1.00 0.00 O ATOM 0 H TYR A 105 -11.256 1.002 -5.541 1.00 0.00 H new ATOM 0 HA TYR A 105 -10.819 -1.549 -4.757 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.525 0.477 -3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -12.248 0.794 -3.385 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -10.266 -2.304 -2.635 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -13.102 0.555 -1.241 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -10.541 -3.613 -0.485 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -13.366 -0.765 0.904 1.00 0.00 H new ATOM 0 HH TYR A 105 -11.582 -2.524 2.155 1.00 0.00 H new ATOM 1590 N GLU A 106 -14.041 -0.936 -4.420 1.00 0.00 N ATOM 1591 CA GLU A 106 -15.344 -1.573 -4.332 1.00 0.00 C ATOM 1592 C GLU A 106 -15.435 -2.735 -5.323 1.00 0.00 C ATOM 1593 O GLU A 106 -15.702 -3.870 -4.931 1.00 0.00 O ATOM 1594 CB GLU A 106 -16.466 -0.560 -4.571 1.00 0.00 C ATOM 1595 CG GLU A 106 -16.590 0.409 -3.394 1.00 0.00 C ATOM 1596 CD GLU A 106 -17.613 -0.094 -2.374 1.00 0.00 C ATOM 1597 OE1 GLU A 106 -17.235 -0.986 -1.583 1.00 0.00 O ATOM 1598 OE2 GLU A 106 -18.750 0.423 -2.407 1.00 0.00 O ATOM 0 H GLU A 106 -14.060 0.083 -4.372 1.00 0.00 H new ATOM 0 HA GLU A 106 -15.465 -1.970 -3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -16.268 -0.002 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -17.410 -1.085 -4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -15.619 0.528 -2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -16.888 1.392 -3.758 1.00 0.00 H new ATOM 1605 N ARG A 107 -15.207 -2.412 -6.588 1.00 0.00 N ATOM 1606 CA ARG A 107 -15.259 -3.415 -7.637 1.00 0.00 C ATOM 1607 C ARG A 107 -14.105 -4.407 -7.482 1.00 0.00 C ATOM 1608 O ARG A 107 -14.328 -5.609 -7.348 1.00 0.00 O ATOM 1609 CB ARG A 107 -15.185 -2.768 -9.022 1.00 0.00 C ATOM 1610 CG ARG A 107 -16.164 -3.434 -9.991 1.00 0.00 C ATOM 1611 CD ARG A 107 -16.433 -2.536 -11.201 1.00 0.00 C ATOM 1612 NE ARG A 107 -17.296 -3.242 -12.174 1.00 0.00 N ATOM 1613 CZ ARG A 107 -17.762 -2.692 -13.303 1.00 0.00 C ATOM 1614 NH1 ARG A 107 -17.451 -1.425 -13.609 1.00 0.00 N ATOM 1615 NH2 ARG A 107 -18.538 -3.409 -14.127 1.00 0.00 N ATOM 0 H ARG A 107 -14.986 -1.470 -6.909 1.00 0.00 H new ATOM 0 HA ARG A 107 -16.209 -3.942 -7.545 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.412 -1.705 -8.943 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.170 -2.849 -9.412 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -15.758 -4.389 -10.325 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -17.101 -3.648 -9.477 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -16.914 -1.612 -10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.491 -2.257 -11.673 1.00 0.00 H new ATOM 0 HE ARG A 107 -17.552 -4.208 -11.972 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.859 -0.879 -12.982 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.806 -1.006 -14.469 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -18.774 -4.374 -13.895 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -18.893 -2.990 -14.987 1.00 0.00 H new ATOM 1629 N TYR A 108 -12.895 -3.866 -7.506 1.00 0.00 N ATOM 1630 CA TYR A 108 -11.705 -4.688 -7.369 1.00 0.00 C ATOM 1631 C TYR A 108 -11.937 -5.829 -6.376 1.00 0.00 C ATOM 1632 O TYR A 108 -11.502 -6.956 -6.607 1.00 0.00 O ATOM 1633 CB TYR A 108 -10.615 -3.764 -6.821 1.00 0.00 C ATOM 1634 CG TYR A 108 -9.568 -4.478 -5.964 1.00 0.00 C ATOM 1635 CD1 TYR A 108 -8.593 -5.248 -6.564 1.00 0.00 C ATOM 1636 CD2 TYR A 108 -9.599 -4.351 -4.590 1.00 0.00 C ATOM 1637 CE1 TYR A 108 -7.608 -5.920 -5.757 1.00 0.00 C ATOM 1638 CE2 TYR A 108 -8.613 -5.023 -3.783 1.00 0.00 C ATOM 1639 CZ TYR A 108 -7.666 -5.774 -4.406 1.00 0.00 C ATOM 1640 OH TYR A 108 -6.735 -6.409 -3.644 1.00 0.00 O ATOM 0 H TYR A 108 -12.714 -2.869 -7.618 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.434 -5.133 -8.326 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -10.114 -3.275 -7.656 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.083 -2.980 -6.226 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -8.569 -5.347 -7.639 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.362 -3.748 -4.120 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.840 -6.526 -6.214 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.626 -4.932 -2.707 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.899 -6.214 -2.698 1.00 0.00 H new ATOM 1650 N LYS A 109 -12.622 -5.496 -5.292 1.00 0.00 N ATOM 1651 CA LYS A 109 -12.918 -6.479 -4.263 1.00 0.00 C ATOM 1652 C LYS A 109 -13.801 -7.580 -4.853 1.00 0.00 C ATOM 1653 O LYS A 109 -13.490 -8.763 -4.728 1.00 0.00 O ATOM 1654 CB LYS A 109 -13.522 -5.800 -3.032 1.00 0.00 C ATOM 1655 CG LYS A 109 -12.608 -5.958 -1.815 1.00 0.00 C ATOM 1656 CD LYS A 109 -13.417 -5.951 -0.517 1.00 0.00 C ATOM 1657 CE LYS A 109 -14.365 -4.751 -0.469 1.00 0.00 C ATOM 1658 NZ LYS A 109 -14.931 -4.591 0.890 1.00 0.00 N ATOM 0 H LYS A 109 -12.981 -4.560 -5.104 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.001 -6.957 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.680 -4.741 -3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.499 -6.233 -2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.049 -6.890 -1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -11.878 -5.149 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.990 -6.875 -0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.741 -5.919 0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.830 -3.846 -0.755 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.170 -4.887 -1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.572 -3.772 0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.459 -5.449 1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.160 -4.440 1.571 1.00 0.00 H new ATOM 1672 N ASN A 110 -14.884 -7.151 -5.484 1.00 0.00 N ATOM 1673 CA ASN A 110 -15.814 -8.085 -6.095 1.00 0.00 C ATOM 1674 C ASN A 110 -15.030 -9.137 -6.882 1.00 0.00 C ATOM 1675 O ASN A 110 -15.416 -10.305 -6.920 1.00 0.00 O ATOM 1676 CB ASN A 110 -16.755 -7.371 -7.067 1.00 0.00 C ATOM 1677 CG ASN A 110 -16.279 -7.536 -8.512 1.00 0.00 C ATOM 1678 OD1 ASN A 110 -16.253 -8.623 -9.064 1.00 0.00 O ATOM 1679 ND2 ASN A 110 -15.904 -6.398 -9.091 1.00 0.00 N ATOM 0 H ASN A 110 -15.138 -6.168 -5.585 1.00 0.00 H new ATOM 0 HA ASN A 110 -16.400 -8.545 -5.300 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -17.763 -7.773 -6.964 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -16.807 -6.312 -6.816 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -15.570 -6.402 -10.055 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -15.951 -5.522 -8.571 1.00 0.00 H new ATOM 1686 N GLU A 111 -13.944 -8.686 -7.492 1.00 0.00 N ATOM 1687 CA GLU A 111 -13.103 -9.574 -8.276 1.00 0.00 C ATOM 1688 C GLU A 111 -12.128 -10.324 -7.365 1.00 0.00 C ATOM 1689 O GLU A 111 -11.742 -11.454 -7.660 1.00 0.00 O ATOM 1690 CB GLU A 111 -12.353 -8.801 -9.363 1.00 0.00 C ATOM 1691 CG GLU A 111 -13.324 -8.239 -10.404 1.00 0.00 C ATOM 1692 CD GLU A 111 -12.592 -7.350 -11.412 1.00 0.00 C ATOM 1693 OE1 GLU A 111 -12.021 -7.923 -12.365 1.00 0.00 O ATOM 1694 OE2 GLU A 111 -12.621 -6.117 -11.207 1.00 0.00 O ATOM 0 H GLU A 111 -13.627 -7.717 -7.459 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.742 -10.305 -8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.787 -7.986 -8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.632 -9.458 -9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.817 -9.059 -10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.104 -7.664 -9.906 1.00 0.00 H new ATOM 1701 N CYS A 112 -11.758 -9.664 -6.277 1.00 0.00 N ATOM 1702 CA CYS A 112 -10.836 -10.254 -5.322 1.00 0.00 C ATOM 1703 C CYS A 112 -11.502 -11.489 -4.712 1.00 0.00 C ATOM 1704 O CYS A 112 -10.939 -12.583 -4.746 1.00 0.00 O ATOM 1705 CB CYS A 112 -10.410 -9.247 -4.251 1.00 0.00 C ATOM 1706 SG CYS A 112 -8.630 -9.446 -3.878 1.00 0.00 S ATOM 0 H CYS A 112 -12.080 -8.727 -6.036 1.00 0.00 H new ATOM 0 HA CYS A 112 -9.920 -10.551 -5.832 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -10.606 -8.232 -4.596 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -10.999 -9.396 -3.346 1.00 0.00 H new ATOM 0 HG CYS A 112 -8.048 -8.284 -3.907 1.00 0.00 H new ATOM 1712 N ARG A 113 -12.690 -11.273 -4.167 1.00 0.00 N ATOM 1713 CA ARG A 113 -13.438 -12.355 -3.550 1.00 0.00 C ATOM 1714 C ARG A 113 -13.394 -13.603 -4.434 1.00 0.00 C ATOM 1715 O ARG A 113 -12.938 -14.660 -4.001 1.00 0.00 O ATOM 1716 CB ARG A 113 -14.896 -11.955 -3.318 1.00 0.00 C ATOM 1717 CG ARG A 113 -15.242 -11.981 -1.828 1.00 0.00 C ATOM 1718 CD ARG A 113 -15.271 -10.567 -1.246 1.00 0.00 C ATOM 1719 NE ARG A 113 -16.671 -10.129 -1.049 1.00 0.00 N ATOM 1720 CZ ARG A 113 -17.471 -10.585 -0.076 1.00 0.00 C ATOM 1721 NH1 ARG A 113 -17.014 -11.495 0.796 1.00 0.00 N ATOM 1722 NH2 ARG A 113 -18.728 -10.132 0.027 1.00 0.00 N ATOM 0 H ARG A 113 -13.153 -10.365 -4.140 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.974 -12.571 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -15.071 -10.956 -3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -15.554 -12.635 -3.860 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -16.212 -12.457 -1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.509 -12.584 -1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -14.737 -10.545 -0.296 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.757 -9.878 -1.916 1.00 0.00 H new ATOM 0 HE ARG A 113 -17.051 -9.436 -1.695 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -16.057 -11.840 0.719 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -17.623 -11.842 1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -19.076 -9.439 -0.636 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -19.336 -10.480 0.768 1.00 0.00 H new ATOM 1736 N GLU A 114 -13.874 -13.439 -5.658 1.00 0.00 N ATOM 1737 CA GLU A 114 -13.895 -14.539 -6.607 1.00 0.00 C ATOM 1738 C GLU A 114 -12.614 -15.366 -6.490 1.00 0.00 C ATOM 1739 O GLU A 114 -11.542 -14.919 -6.896 1.00 0.00 O ATOM 1740 CB GLU A 114 -14.088 -14.027 -8.036 1.00 0.00 C ATOM 1741 CG GLU A 114 -15.508 -14.306 -8.532 1.00 0.00 C ATOM 1742 CD GLU A 114 -15.842 -13.446 -9.753 1.00 0.00 C ATOM 1743 OE1 GLU A 114 -15.367 -12.290 -9.779 1.00 0.00 O ATOM 1744 OE2 GLU A 114 -16.563 -13.964 -10.632 1.00 0.00 O ATOM 0 H GLU A 114 -14.251 -12.561 -6.014 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.742 -15.182 -6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.891 -12.956 -8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.367 -14.506 -8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.607 -15.361 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.222 -14.103 -7.734 1.00 0.00 H new ATOM 1751 N LYS A 115 -12.766 -16.559 -5.932 1.00 0.00 N ATOM 1752 CA LYS A 115 -11.634 -17.452 -5.756 1.00 0.00 C ATOM 1753 C LYS A 115 -10.746 -17.395 -7.000 1.00 0.00 C ATOM 1754 O LYS A 115 -11.221 -17.597 -8.116 1.00 0.00 O ATOM 1755 CB LYS A 115 -12.114 -18.863 -5.408 1.00 0.00 C ATOM 1756 CG LYS A 115 -13.004 -19.429 -6.517 1.00 0.00 C ATOM 1757 CD LYS A 115 -12.330 -20.616 -7.207 1.00 0.00 C ATOM 1758 CE LYS A 115 -12.363 -20.456 -8.729 1.00 0.00 C ATOM 1759 NZ LYS A 115 -11.669 -21.587 -9.384 1.00 0.00 N ATOM 0 H LYS A 115 -13.656 -16.927 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 115 -11.023 -17.130 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.255 -19.516 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.667 -18.842 -4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -13.960 -19.742 -6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -13.218 -18.651 -7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -11.297 -20.699 -6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -12.834 -21.540 -6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -13.396 -20.407 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -11.888 -19.517 -9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -11.701 -21.463 -10.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -10.678 -21.616 -9.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -12.140 -22.478 -9.128 1.00 0.00 H new ATOM 1773 N GLU A 116 -9.471 -17.119 -6.766 1.00 0.00 N ATOM 1774 CA GLU A 116 -8.512 -17.032 -7.854 1.00 0.00 C ATOM 1775 C GLU A 116 -7.094 -16.880 -7.301 1.00 0.00 C ATOM 1776 O GLU A 116 -6.183 -17.598 -7.711 1.00 0.00 O ATOM 1777 CB GLU A 116 -8.858 -15.880 -8.800 1.00 0.00 C ATOM 1778 CG GLU A 116 -8.265 -16.116 -10.190 1.00 0.00 C ATOM 1779 CD GLU A 116 -6.809 -15.649 -10.251 1.00 0.00 C ATOM 1780 OE1 GLU A 116 -6.611 -14.442 -10.510 1.00 0.00 O ATOM 1781 OE2 GLU A 116 -5.928 -16.509 -10.038 1.00 0.00 O ATOM 0 H GLU A 116 -9.080 -16.953 -5.839 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.560 -17.957 -8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.941 -15.779 -8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.478 -14.943 -8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.322 -17.176 -10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.854 -15.582 -10.936 1.00 0.00 H new ATOM 1788 N ARG A 117 -6.951 -15.940 -6.377 1.00 0.00 N ATOM 1789 CA ARG A 117 -5.659 -15.684 -5.764 1.00 0.00 C ATOM 1790 C ARG A 117 -4.882 -16.992 -5.598 1.00 0.00 C ATOM 1791 O ARG A 117 -5.451 -18.011 -5.209 1.00 0.00 O ATOM 1792 CB ARG A 117 -5.822 -15.018 -4.396 1.00 0.00 C ATOM 1793 CG ARG A 117 -6.478 -13.642 -4.530 1.00 0.00 C ATOM 1794 CD ARG A 117 -6.613 -12.964 -3.165 1.00 0.00 C ATOM 1795 NE ARG A 117 -7.934 -13.274 -2.575 1.00 0.00 N ATOM 1796 CZ ARG A 117 -8.249 -13.066 -1.289 1.00 0.00 C ATOM 1797 NH1 ARG A 117 -7.341 -12.547 -0.452 1.00 0.00 N ATOM 1798 NH2 ARG A 117 -9.473 -13.378 -0.840 1.00 0.00 N ATOM 0 H ARG A 117 -7.709 -15.347 -6.039 1.00 0.00 H new ATOM 0 HA ARG A 117 -5.107 -15.011 -6.420 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -6.428 -15.652 -3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -4.847 -14.915 -3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -5.884 -13.015 -5.194 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -7.462 -13.747 -4.987 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -5.819 -13.305 -2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -6.497 -11.885 -3.272 1.00 0.00 H new ATOM 0 HE ARG A 117 -8.649 -13.671 -3.185 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -6.409 -12.310 -0.793 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -7.581 -12.389 0.527 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -10.164 -13.774 -1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -9.713 -13.220 0.139 1.00 0.00 H new ATOM 1812 N GLU A 118 -3.594 -16.920 -5.901 1.00 0.00 N ATOM 1813 CA GLU A 118 -2.734 -18.085 -5.790 1.00 0.00 C ATOM 1814 C GLU A 118 -2.999 -18.818 -4.473 1.00 0.00 C ATOM 1815 O GLU A 118 -3.694 -18.301 -3.600 1.00 0.00 O ATOM 1816 CB GLU A 118 -1.260 -17.692 -5.911 1.00 0.00 C ATOM 1817 CG GLU A 118 -0.601 -18.394 -7.100 1.00 0.00 C ATOM 1818 CD GLU A 118 0.878 -18.016 -7.209 1.00 0.00 C ATOM 1819 OE1 GLU A 118 1.175 -16.820 -7.000 1.00 0.00 O ATOM 1820 OE2 GLU A 118 1.678 -18.932 -7.499 1.00 0.00 O ATOM 0 H GLU A 118 -3.126 -16.073 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 118 -2.965 -18.762 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.177 -16.612 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.734 -17.953 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.697 -19.474 -6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.118 -18.122 -8.020 1.00 0.00 H new ATOM 1827 N GLU A 119 -2.432 -20.011 -4.372 1.00 0.00 N ATOM 1828 CA GLU A 119 -2.599 -20.821 -3.177 1.00 0.00 C ATOM 1829 C GLU A 119 -1.262 -20.976 -2.450 1.00 0.00 C ATOM 1830 O GLU A 119 -1.007 -22.004 -1.825 1.00 0.00 O ATOM 1831 CB GLU A 119 -3.199 -22.186 -3.518 1.00 0.00 C ATOM 1832 CG GLU A 119 -4.709 -22.081 -3.740 1.00 0.00 C ATOM 1833 CD GLU A 119 -5.167 -23.025 -4.854 1.00 0.00 C ATOM 1834 OE1 GLU A 119 -4.403 -23.158 -5.834 1.00 0.00 O ATOM 1835 OE2 GLU A 119 -6.270 -23.592 -4.700 1.00 0.00 O ATOM 0 H GLU A 119 -1.856 -20.437 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.296 -20.311 -2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.723 -22.583 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.995 -22.889 -2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -5.234 -22.322 -2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -4.972 -21.055 -3.997 1.00 0.00 H new ATOM 1842 N ILE A 120 -0.443 -19.940 -2.557 1.00 0.00 N ATOM 1843 CA ILE A 120 0.862 -19.948 -1.917 1.00 0.00 C ATOM 1844 C ILE A 120 0.698 -19.631 -0.429 1.00 0.00 C ATOM 1845 O ILE A 120 0.388 -18.498 -0.063 1.00 0.00 O ATOM 1846 CB ILE A 120 1.821 -19.005 -2.645 1.00 0.00 C ATOM 1847 CG1 ILE A 120 2.002 -19.426 -4.105 1.00 0.00 C ATOM 1848 CG2 ILE A 120 3.158 -18.905 -1.907 1.00 0.00 C ATOM 1849 CD1 ILE A 120 2.839 -18.400 -4.872 1.00 0.00 C ATOM 0 H ILE A 120 -0.658 -19.089 -3.077 1.00 0.00 H new ATOM 0 HA ILE A 120 1.313 -20.938 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 120 1.381 -18.008 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 120 2.487 -20.401 -4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 120 1.027 -19.533 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 120 3.821 -18.228 -2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 120 2.990 -18.523 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 120 3.616 -19.892 -1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.952 -18.723 -5.907 1.00 0.00 H new ATOM 0 HD12 ILE A 120 2.340 -17.431 -4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 120 3.822 -18.313 -4.409 1.00 0.00 H new ATOM 1861 N ALA A 121 0.914 -20.651 0.388 1.00 0.00 N ATOM 1862 CA ALA A 121 0.794 -20.495 1.827 1.00 0.00 C ATOM 1863 C ALA A 121 -0.598 -19.957 2.164 1.00 0.00 C ATOM 1864 O ALA A 121 -0.795 -18.746 2.251 1.00 0.00 O ATOM 1865 CB ALA A 121 1.911 -19.581 2.337 1.00 0.00 C ATOM 0 H ALA A 121 1.171 -21.589 0.081 1.00 0.00 H new ATOM 0 HA ALA A 121 0.906 -21.457 2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 121 1.821 -19.464 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.879 -20.022 2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.830 -18.605 1.858 1.00 0.00 H new ATOM 1871 N ARG A 122 -1.528 -20.883 2.343 1.00 0.00 N ATOM 1872 CA ARG A 122 -2.896 -20.517 2.668 1.00 0.00 C ATOM 1873 C ARG A 122 -2.918 -19.515 3.823 1.00 0.00 C ATOM 1874 O ARG A 122 -2.079 -19.579 4.721 1.00 0.00 O ATOM 1875 CB ARG A 122 -3.719 -21.748 3.054 1.00 0.00 C ATOM 1876 CG ARG A 122 -5.205 -21.402 3.162 1.00 0.00 C ATOM 1877 CD ARG A 122 -6.050 -22.338 2.295 1.00 0.00 C ATOM 1878 NE ARG A 122 -7.064 -21.559 1.549 1.00 0.00 N ATOM 1879 CZ ARG A 122 -7.973 -22.102 0.728 1.00 0.00 C ATOM 1880 NH1 ARG A 122 -8.000 -23.428 0.541 1.00 0.00 N ATOM 1881 NH2 ARG A 122 -8.855 -21.318 0.093 1.00 0.00 N ATOM 0 H ARG A 122 -1.361 -21.887 2.269 1.00 0.00 H new ATOM 0 HA ARG A 122 -3.337 -20.063 1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.578 -22.532 2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -3.364 -22.144 4.006 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -5.525 -21.476 4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -5.365 -20.369 2.852 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -5.410 -22.879 1.598 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -6.540 -23.083 2.921 1.00 0.00 H new ATOM 0 HE ARG A 122 -7.071 -20.546 1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -7.328 -24.025 1.024 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -8.692 -23.841 -0.084 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -8.834 -20.308 0.235 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -9.547 -21.731 -0.532 1.00 0.00 H new ATOM 1895 N GLN A 123 -3.885 -18.612 3.764 1.00 0.00 N ATOM 1896 CA GLN A 123 -4.027 -17.598 4.794 1.00 0.00 C ATOM 1897 C GLN A 123 -5.499 -17.433 5.178 1.00 0.00 C ATOM 1898 O GLN A 123 -6.206 -16.609 4.600 1.00 0.00 O ATOM 1899 CB GLN A 123 -3.427 -16.266 4.339 1.00 0.00 C ATOM 1900 CG GLN A 123 -2.424 -15.737 5.366 1.00 0.00 C ATOM 1901 CD GLN A 123 -1.159 -16.598 5.391 1.00 0.00 C ATOM 1902 OE1 GLN A 123 -0.299 -16.509 4.529 1.00 0.00 O ATOM 1903 NE2 GLN A 123 -1.093 -17.433 6.424 1.00 0.00 N ATOM 0 H GLN A 123 -4.579 -18.562 3.018 1.00 0.00 H new ATOM 0 HA GLN A 123 -3.476 -17.925 5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -2.933 -16.396 3.376 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -4.223 -15.536 4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -2.162 -14.706 5.126 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -2.882 -15.728 6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -1.848 -17.457 7.110 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -0.288 -18.050 6.531 1.00 0.00 H new ATOM 1912 N ALA A 124 -5.916 -18.229 6.151 1.00 0.00 N ATOM 1913 CA ALA A 124 -7.291 -18.182 6.619 1.00 0.00 C ATOM 1914 C ALA A 124 -7.691 -16.726 6.866 1.00 0.00 C ATOM 1915 O ALA A 124 -6.930 -15.961 7.456 1.00 0.00 O ATOM 1916 CB ALA A 124 -7.434 -19.047 7.873 1.00 0.00 C ATOM 0 H ALA A 124 -5.326 -18.910 6.628 1.00 0.00 H new ATOM 0 HA ALA A 124 -7.967 -18.587 5.866 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.465 -19.012 8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.166 -20.077 7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -6.772 -18.670 8.653 1.00 0.00 H new ATOM 1922 N SER A 125 -8.885 -16.387 6.403 1.00 0.00 N ATOM 1923 CA SER A 125 -9.396 -15.036 6.566 1.00 0.00 C ATOM 1924 C SER A 125 -10.843 -14.960 6.074 1.00 0.00 C ATOM 1925 O SER A 125 -11.180 -15.530 5.038 1.00 0.00 O ATOM 1926 CB SER A 125 -8.527 -14.024 5.817 1.00 0.00 C ATOM 1927 OG SER A 125 -8.192 -14.475 4.507 1.00 0.00 O ATOM 0 H SER A 125 -9.514 -17.025 5.915 1.00 0.00 H new ATOM 0 HA SER A 125 -9.366 -14.785 7.626 1.00 0.00 H new ATOM 0 HB2 SER A 125 -9.055 -13.073 5.749 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.613 -13.842 6.383 1.00 0.00 H new ATOM 0 HG SER A 125 -7.535 -15.200 4.569 1.00 0.00 H new ATOM 1933 N GLY A 126 -11.658 -14.253 6.842 1.00 0.00 N ATOM 1934 CA GLY A 126 -13.061 -14.095 6.497 1.00 0.00 C ATOM 1935 C GLY A 126 -13.547 -12.679 6.811 1.00 0.00 C ATOM 1936 O GLY A 126 -13.909 -12.380 7.948 1.00 0.00 O ATOM 0 H GLY A 126 -11.374 -13.783 7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -13.204 -14.306 5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -13.659 -14.819 7.050 1.00 0.00 H new ATOM 1940 N PRO A 127 -13.540 -11.821 5.755 1.00 0.00 N ATOM 1941 CA PRO A 127 -13.976 -10.443 5.907 1.00 0.00 C ATOM 1942 C PRO A 127 -15.500 -10.359 6.010 1.00 0.00 C ATOM 1943 O PRO A 127 -16.192 -11.365 5.870 1.00 0.00 O ATOM 1944 CB PRO A 127 -13.422 -9.719 4.691 1.00 0.00 C ATOM 1945 CG PRO A 127 -13.096 -10.801 3.674 1.00 0.00 C ATOM 1946 CD PRO A 127 -13.119 -12.140 4.394 1.00 0.00 C ATOM 0 HA PRO A 127 -13.612 -9.985 6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -14.150 -9.014 4.291 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -12.532 -9.145 4.950 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -13.822 -10.792 2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -12.117 -10.624 3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -13.811 -12.834 3.918 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -12.137 -12.612 4.384 1.00 0.00 H new ATOM 1954 N SER A 128 -15.978 -9.147 6.255 1.00 0.00 N ATOM 1955 CA SER A 128 -17.407 -8.918 6.378 1.00 0.00 C ATOM 1956 C SER A 128 -17.724 -7.442 6.129 1.00 0.00 C ATOM 1957 O SER A 128 -17.468 -6.595 6.984 1.00 0.00 O ATOM 1958 CB SER A 128 -17.917 -9.344 7.757 1.00 0.00 C ATOM 1959 OG SER A 128 -17.257 -8.646 8.809 1.00 0.00 O ATOM 0 H SER A 128 -15.401 -8.314 6.371 1.00 0.00 H new ATOM 0 HA SER A 128 -17.916 -9.524 5.629 1.00 0.00 H new ATOM 0 HB2 SER A 128 -18.990 -9.162 7.819 1.00 0.00 H new ATOM 0 HB3 SER A 128 -17.767 -10.416 7.884 1.00 0.00 H new ATOM 0 HG SER A 128 -17.234 -7.688 8.602 1.00 0.00 H new ATOM 1965 N SER A 129 -18.276 -7.178 4.954 1.00 0.00 N ATOM 1966 CA SER A 129 -18.630 -5.819 4.582 1.00 0.00 C ATOM 1967 C SER A 129 -19.545 -5.834 3.355 1.00 0.00 C ATOM 1968 O SER A 129 -19.644 -6.846 2.663 1.00 0.00 O ATOM 1969 CB SER A 129 -17.381 -4.981 4.302 1.00 0.00 C ATOM 1970 OG SER A 129 -16.675 -4.661 5.497 1.00 0.00 O ATOM 0 H SER A 129 -18.487 -7.882 4.247 1.00 0.00 H new ATOM 0 HA SER A 129 -19.160 -5.363 5.418 1.00 0.00 H new ATOM 0 HB2 SER A 129 -16.722 -5.527 3.627 1.00 0.00 H new ATOM 0 HB3 SER A 129 -17.668 -4.061 3.793 1.00 0.00 H new ATOM 0 HG SER A 129 -17.138 -5.054 6.266 1.00 0.00 H new ATOM 1976 N GLY A 130 -20.190 -4.700 3.124 1.00 0.00 N ATOM 1977 CA GLY A 130 -21.093 -4.570 1.993 1.00 0.00 C ATOM 1978 C GLY A 130 -21.664 -3.153 1.908 1.00 0.00 C ATOM 1979 O GLY A 130 -22.385 -2.827 0.966 1.00 0.00 O ATOM 0 H GLY A 130 -20.105 -3.863 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -20.563 -4.808 1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -21.907 -5.289 2.088 1.00 0.00 H new TER 1983 GLY A 130